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 148.6
[M+Na]+ 287.94457 157.7
[M-H]- 263.94807 152.2
[M+NH4]+ 282.98917 167.4
[M+K]+ 303.91851 150.3
[M+H-H2O]+ 247.95261 145.2
[M+HCOO]- 309.95355 152.6
[M+CH3COO]- 323.96920 193.9
[M+Na-2H]- 285.93002 148.3
[M]+ 264.95480 152.4
[M]- 264.95590 152.4
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

patents stripe