CID 3032586

13037-24-6

Structural Information

Molecular Formula

C₈H₈ClNS₂

SMILES

CSC(=S)NC1=CC=CC=C1Cl

InChI

InChI=1S/C8H8ClNS2/c1-12-8(11)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)

InChIKey

YDCLNPGVXMUWQA-UHFFFAOYSA-N

Compound name

methyl N-(2-chlorophenyl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.97867 Da
Monoisotopic Mass: 2.8
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]+	217.98595	142.7
[M+Na]+	239.96789	154.9
[M+NH4]+	235.01249	152.8
[M+K]+	255.94183	143.9
[M-H]-	215.97139	146.3
[M+Na-2H]-	237.95334	148.8
[M]+	216.97812	146.7
[M]-	216.97922	146.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.