CID 6371

Phosgene

Structural Information

Molecular Formula

SMILES

C(=O)(Cl)Cl

InChI

InChI=1S/CCl2O/c2-1(3)4

InChIKey

YGYAWVDWMABLBF-UHFFFAOYSA-N

Compound name

carbonyl dichloride

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 981
References: 29660
Patents: 97.93262 Da
Monoisotopic Mass: 1.8
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]+	98.939896	107.8
[M+Na]+	120.92184	118.2
[M-H]-	96.925344	108.3
[M+NH4]+	115.96644	132.3
[M+K]+	136.89578	115.8
[M+H-H2O]+	80.929880	106.4
[M+HCOO]-	142.93082	123.1
[M+CH3COO]-	156.94647	163.2
[M+Na-2H]-	118.90729	115.4
[M]+	97.932071	109.8
[M]-	97.933169	109.8

Literature stripe

literature stripe

Patent stripe

patents stripe