CID 2799996

2,5-dichloro-nicotinoyl chloride

Structural Information

Molecular Formula

C₆H₂Cl₃NO

SMILES

C1=C(C=NC(=C1C(=O)Cl)Cl)Cl

InChI

InChI=1S/C6H2Cl3NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H

InChIKey

VRJMAKCJTSZUQR-UHFFFAOYSA-N

Compound name

2,5-dichloropyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 208.9202 Da
Monoisotopic Mass: 3.0
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]+	209.92748	132.1
[M+Na]+	231.90942	143.4
[M-H]-	207.91292	133.2
[M+NH4]+	226.95402	151.0
[M+K]+	247.88336	138.4
[M+H-H2O]+	191.91746	128.4
[M+HCOO]-	253.91840	140.5
[M+CH3COO]-	267.93405	183.6
[M+Na-2H]-	229.89487	137.1
[M]+	208.91965	135.0
[M]-	208.92075	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe