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 143.3
[M+Na]+ 253.98354 152.3
[M-H]- 229.98704 147.3
[M+NH4]+ 249.02814 163.0
[M+K]+ 269.95748 145.9
[M+H-H2O]+ 213.99158 138.8
[M+HCOO]- 275.99252 152.1
[M+CH3COO]- 290.00817 189.4
[M+Na-2H]- 251.96899 143.5
[M]+ 230.99377 146.3
[M]- 230.99487 146.3
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.