CID 214188

Brn 2213796

Structural Information

Molecular Formula

C₉H₁₀ClNS₃

SMILES

CN(C)C(=S)SSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H10ClNS3/c1-11(2)9(12)14-13-8-5-3-7(10)4-6-8/h3-6H,1-2H3

InChIKey

SPYWZNLDUIWAPO-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)sulfanyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 262.9664 Da
Monoisotopic Mass: 3.5
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]+	263.97368	149.1
[M+Na]+	285.95562	156.9
[M-H]-	261.95912	153.4
[M+NH4]+	281.00022	167.4
[M+K]+	301.92956	150.0
[M+H-H2O]+	245.96366	143.9
[M+HCOO]-	307.96460	152.1
[M+CH3COO]-	321.98025	197.1
[M+Na-2H]-	283.94107	148.4
[M]+	262.96585	152.0
[M]-	262.96695	152.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.