CID 14761442

131748-14-6

Structural Information

Molecular Formula

C₆H₃ClF₃N

SMILES

C1=CN=C(C=C1Cl)C(F)(F)F

InChI

InChI=1S/C6H3ClF3N/c7-4-1-2-11-5(3-4)6(8,9)10/h1-3H

InChIKey

FZINIBTZNSPWQR-UHFFFAOYSA-N

Compound name

4-chloro-2-(trifluoromethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 543
Patents: 180.99062 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]+	181.99790	133.2
[M+Na]+	203.97984	144.3
[M+NH4]+	199.02444	139.9
[M+K]+	219.95378	138.5
[M-H]-	179.98334	130.4
[M+Na-2H]-	201.96529	139.1
[M]+	180.99007	134.1
[M]-	180.99117	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe