CID 485440

62039-92-3

Structural Information

Molecular Formula

C₈H₇ClF₃N

SMILES

C1=CC(=C(C=C1CN)C(F)(F)F)Cl

InChI

InChI=1S/C8H7ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2

InChIKey

SRHQOQMNBVOXCF-UHFFFAOYSA-N

Compound name

[4-chloro-3-(trifluoromethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 338
Patents: 209.02191 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.02919	140.4
[M+Na]+	232.01113	150.3
[M+NH4]+	227.05573	147.0
[M+K]+	247.98507	144.6
[M-H]-	208.01463	138.4
[M+Na-2H]-	229.99658	145.3
[M]+	209.02136	141.3
[M]-	209.02246	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe