CID 3032370

Carbanilic acid, m-chlorodithio-, methyl ester

Structural Information

Molecular Formula
C8H8ClNS2
SMILES
CSC(=S)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C8H8ClNS2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
InChIKey
AGYSOQFTEABAHV-UHFFFAOYSA-N
Compound name
methyl N-(3-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.97867 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98595 139.5
[M+Na]+ 239.96789 148.2
[M-H]- 215.97139 143.4
[M+NH4]+ 235.01249 159.5
[M+K]+ 255.94183 142.0
[M+H-H2O]+ 199.97593 135.0
[M+HCOO]- 261.97687 148.7
[M+CH3COO]- 275.99252 185.4
[M+Na-2H]- 237.95334 140.8
[M]+ 216.97812 141.8
[M]- 216.97922 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.