CID 3032592

13037-37-1

Structural Information

Molecular Formula
C9H9Cl2NS2
SMILES
CCSC(=S)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H9Cl2NS2/c1-2-14-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKey
AHFQVRXMYZFPHT-UHFFFAOYSA-N
Compound name
ethyl N-(3,4-dichlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.95535 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.96263 156.1
[M+Na]+ 287.94457 168.8
[M+NH4]+ 282.98917 165.8
[M+K]+ 303.91851 156.9
[M-H]- 263.94807 159.3
[M+Na-2H]- 285.93002 161.3
[M]+ 264.95480 160.3
[M]- 264.95590 160.3
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.