CID 119708

27738-96-1

Structural Information

Molecular Formula

SMILES

C(=NC(=O)Cl)=O

InChI

InChI=1S/C2ClNO2/c3-2(6)4-1-5

InChIKey

VBBUFMFZDHLELS-UHFFFAOYSA-N

Compound name

N-(oxomethylidene)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1126
Patents: 104.961754 Da
Monoisotopic Mass: 2.0
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]+	105.96903	111.7
[M+Na]+	127.95097	121.7
[M-H]-	103.95448	114.1
[M+NH4]+	122.99558	136.0
[M+K]+	143.92491	120.8
[M+H-H2O]+	87.959014	108.5
[M+HCOO]-	149.95996	134.9
[M+CH3COO]-	163.97560	167.0
[M+Na-2H]-	125.93642	120.1
[M]+	104.96121	114.3
[M]-	104.96230	114.3

Literature stripe

literature stripe

Patent stripe

patents stripe