CID 119087607

2,3-dichloro-5-isocyanatopyridine

Structural Information

Molecular Formula

C₆H₂Cl₂N₂O

SMILES

C1=C(C=NC(=C1Cl)Cl)N=C=O

InChI

InChI=1S/C6H2Cl2N2O/c7-5-1-4(10-3-11)2-9-6(5)8/h1-2H

InChIKey

CYJIOJYQSAIIFO-UHFFFAOYSA-N

Compound name

2,3-dichloro-5-isocyanatopyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.95442 Da
Monoisotopic Mass: 3.3
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]+	188.96170	131.3
[M+Na]+	210.94364	143.0
[M-H]-	186.94714	134.8
[M+NH4]+	205.98824	151.6
[M+K]+	226.91758	138.5
[M+H-H2O]+	170.95168	126.3
[M+HCOO]-	232.95262	148.7
[M+CH3COO]-	246.96827	182.8
[M+Na-2H]-	208.92909	139.1
[M]+	187.95387	135.2
[M]-	187.95497	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.