CID 3032591

13037-36-0

Structural Information

Molecular Formula

C₈H₇Cl₂NS₂

SMILES

CSC(=S)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C8H7Cl2NS2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)

InChIKey

YAHNYLGSSPTTAG-UHFFFAOYSA-N

Compound name

methyl N-(3,4-dichlorophenyl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 844
Patents: 250.9397 Da
Monoisotopic Mass: 4.8
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]+	251.94698	144.4
[M+Na]+	273.92892	153.9
[M-H]-	249.93242	148.2
[M+NH4]+	268.97352	163.7
[M+K]+	289.90286	146.7
[M+H-H2O]+	233.93696	141.2
[M+HCOO]-	295.93790	148.7
[M+CH3COO]-	309.95355	191.0
[M+Na-2H]-	271.91437	144.5
[M]+	250.93915	147.8
[M]-	250.94025	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe