CID 3337

Fenfluramine

Structural Information

Molecular Formula
C12H16F3N
SMILES
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
InChIKey
DBGIVFWFUFKIQN-UHFFFAOYSA-N
Compound name
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3644
References

72692
Patents

231.12349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.130766 150.3
[M+Na]+ 254.112708 156.9
[M-H]- 230.116214 149.8
[M+NH4]+ 249.157313 168.2
[M+K]+ 270.086648 153.8
[M+H-H2O]+ 214.120750 141.8
[M+HCOO]- 276.121691 169.1
[M+CH3COO]- 290.137341 195.2
[M+Na-2H]- 252.098156 154.0
[M]+ 231.12294142 146.1
[M]- 231.12403858 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe