CID 141094

24279-39-8

Structural Information

Molecular Formula

C₇H₄Cl₂F₃N

SMILES

C1=C(C=C(C(=C1Cl)N)Cl)C(F)(F)F

InChI

InChI=1S/C7H4Cl2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

InChIKey

ITNMAZSPBLRJLU-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 758
Patents: 228.96729 Da
Monoisotopic Mass: 3.4
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]+	229.974566	137.7
[M+Na]+	251.956508	149.6
[M-H]-	227.960014	137.3
[M+NH4]+	247.001113	157.3
[M+K]+	267.930448	143.4
[M+H-H2O]+	211.964550	132.1
[M+HCOO]-	273.965491	149.0
[M+CH3COO]-	287.981141	189.3
[M+Na-2H]-	249.941956	141.8
[M]+	228.96674142	135.4
[M]-	228.96783858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe