CID 3032741

4-chloro-3-methyldithiocarbanilic acid ethyl ester

Structural Information

Molecular Formula
C10H12ClNS2
SMILES
CCSC(=S)NC1=CC(=C(C=C1)Cl)C
InChI
InChI=1S/C10H12ClNS2/c1-3-14-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey
QJASGYOYRLAVJS-UHFFFAOYSA-N
Compound name
ethyl N-(4-chloro-3-methylphenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00996 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01724 147.6
[M+Na]+ 267.99918 156.2
[M-H]- 244.00268 151.4
[M+NH4]+ 263.04378 166.7
[M+K]+ 283.97312 149.5
[M+H-H2O]+ 228.00722 142.9
[M+HCOO]- 290.00816 156.0
[M+CH3COO]- 304.02381 192.3
[M+Na-2H]- 265.98463 147.3
[M]+ 245.00941 150.9
[M]- 245.01051 150.9
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.