CID 3032587

Ethyl o-chlorodithiocarbanilate

Structural Information

Molecular Formula
C9H10ClNS2
SMILES
CCSC(=S)NC1=CC=CC=C1Cl
InChI
InChI=1S/C9H10ClNS2/c1-2-13-9(12)11-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12)
InChIKey
NCIRTHMEMNYDRA-UHFFFAOYSA-N
Compound name
ethyl N-(2-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.99432 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00160 143.7
[M+Na]+ 253.98354 152.0
[M-H]- 229.98704 147.5
[M+NH4]+ 249.02814 163.2
[M+K]+ 269.95748 145.6
[M+H-H2O]+ 213.99158 139.0
[M+HCOO]- 275.99252 152.6
[M+CH3COO]- 290.00817 188.3
[M+Na-2H]- 251.96899 144.6
[M]+ 230.99377 146.4
[M]- 230.99487 146.4
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.