CID 130719781

1934421-30-3

Structural Information

Molecular Formula

C₃H₆ClNO₂S

SMILES

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

InChI

InChI=1S/C3H6ClNO2S/c1-8(2,7)5-3(4)6/h1-2H3

InChIKey

AFKDLTDFOVVRAN-UHFFFAOYSA-N

Compound name

N-[dimethyl(oxo)-lambda6-sulfanylidene]carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.98077 Da
Monoisotopic Mass: 1.3
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]+	155.988046	125.4
[M+Na]+	177.969988	135.0
[M-H]-	153.973494	128.2
[M+NH4]+	173.014593	148.3
[M+K]+	193.943928	133.1
[M+H-H2O]+	137.978030	122.1
[M+HCOO]-	199.978971	141.1
[M+CH3COO]-	213.994621	174.3
[M+Na-2H]-	175.955436	130.3
[M]+	154.98022142	129.8
[M]-	154.98131858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.