CID 77335

2,6-pyridinedicarbonyl dichloride

Structural Information

Molecular Formula

C₇H₃Cl₂NO₂

SMILES

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

InChI

InChI=1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H

InChIKey

GWHOGODUVLQCEB-UHFFFAOYSA-N

Compound name

pyridine-2,6-dicarbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 838
Patents: 202.95409 Da
Monoisotopic Mass: 2.5
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]+	203.96137	132.2
[M+Na]+	225.94331	142.5
[M-H]-	201.94681	134.3
[M+NH4]+	220.98791	151.1
[M+K]+	241.91725	138.3
[M+H-H2O]+	185.95135	127.7
[M+HCOO]-	247.95229	145.4
[M+CH3COO]-	261.96794	181.7
[M+Na-2H]-	223.92876	137.5
[M]+	202.95354	135.5
[M]-	202.95464	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe