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 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
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.