CID 21273637

39853-81-1

Structural Information

Molecular Formula

C₇H₅Cl₂NO

SMILES

CC1=NC(=C(C=C1)C(=O)Cl)Cl

InChI

InChI=1S/C7H5Cl2NO/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3

InChIKey

ZDWXDEDBIUIQMY-UHFFFAOYSA-N

Compound name

2-chloro-6-methylpyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 188.97482 Da
Monoisotopic Mass: 2.7
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]+	189.98210	132.6
[M+Na]+	211.96404	148.0
[M+NH4]+	207.00864	141.7
[M+K]+	227.93798	140.8
[M-H]-	187.96754	134.3
[M+Na-2H]-	209.94949	140.3
[M]+	188.97427	135.9
[M]-	188.97537	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe