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: 590
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	126.9
[M+Na]+	203.97984	138.0
[M-H]-	179.98334	125.8
[M+NH4]+	199.02444	146.7
[M+K]+	219.95378	133.9
[M+H-H2O]+	163.98788	119.5
[M+HCOO]-	225.98882	141.8
[M+CH3COO]-	240.00447	177.9
[M+Na-2H]-	201.96529	134.6
[M]+	180.99007	124.5
[M]-	180.99117	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe