CID 13986817

34486-23-2

Structural Information

Molecular Formula

C₆H₄ClF₃N₂

SMILES

C1=C(C=C(N=C1N)Cl)C(F)(F)F

InChI

InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-5(11)12-4/h1-2H,(H2,11,12)

InChIKey

CREQAXQASINAFR-UHFFFAOYSA-N

Compound name

6-chloro-4-(trifluoromethyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 196.00151 Da
Monoisotopic Mass: 2.4
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]+	197.008786	132.3
[M+Na]+	218.990728	143.4
[M-H]-	194.994234	130.9
[M+NH4]+	214.035333	151.2
[M+K]+	234.964668	138.8
[M+H-H2O]+	178.998770	124.8
[M+HCOO]-	240.999711	147.6
[M+CH3COO]-	255.015361	183.1
[M+Na-2H]-	216.976176	138.4
[M]+	196.00096142	128.5
[M]-	196.00205858	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe