CID 3032740

Carbanilic acid, 4-chloro-3-methyldithio-, methyl ester

Structural Information

Molecular Formula
C9H10ClNS2
SMILES
CC1=C(C=CC(=C1)NC(=S)SC)Cl
InChI
InChI=1S/C9H10ClNS2/c1-6-5-7(3-4-8(6)10)11-9(12)13-2/h3-5H,1-2H3,(H,11,12)
InChIKey
JRYKESWUGACBSJ-UHFFFAOYSA-N
Compound name
methyl N-(4-chloro-3-methylphenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.99432 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00160 147.6
[M+Na]+ 253.98354 160.0
[M+NH4]+ 249.02814 157.6
[M+K]+ 269.95748 148.9
[M-H]- 229.98704 151.2
[M+Na-2H]- 251.96899 153.2
[M]+ 230.99377 151.7
[M]- 230.99487 151.7
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.