Metabolite norfenfluramine

Name

norfenfluramine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

037A9J3PSW

CAS number

Not Available

Weight

Average: 203.208
Monoisotopic: 203.092183879

Chemical Formula

C₁₀H₁₂F₃N

InChI Key

MLBHFBKZUPLWBD-UHFFFAOYSA-N

InChI

InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3

IUPAC Name

1-[3-(trifluoromethyl)phenyl]propan-2-amine

SMILES

CC(N)CC1=CC(=CC=C1)C(F)(F)F

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0920000000-90ab870a0d7b113a442f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0390000000-4b0c019970199f4fd5e9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014r-0900000000-f6df3f145d8ca0253f9a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0910000000-d6eb1a4a62eaeb075d27
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1900000000-e6ee322c8511c98dd1aa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4l-4910000000-2f98eafdc693cd70fce2

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	144.57288	predicted	DeepCCS 1.0 (2019)
[M+H]+	146.9309	predicted	DeepCCS 1.0 (2019)
[M+Na]+	154.61261	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties