CID 211661

Brn 1021513

Structural Information

Molecular Formula
C14H8Cl2N2S3
SMILES
C1=CC(=CC=C1N=C2N(C(=S)SS2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2S3/c15-9-1-5-11(6-2-9)17-13-18(14(19)21-20-13)12-7-3-10(16)4-8-12/h1-8H
InChIKey
WPRIVQOKBSMLTF-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-(4-chlorophenyl)imino-1,2,4-dithiazolidine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.92267 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.92995 177.4
[M+Na]+ 392.91189 190.9
[M-H]- 368.91539 187.3
[M+NH4]+ 387.95649 193.4
[M+K]+ 408.88583 180.6
[M+H-H2O]+ 352.91993 172.4
[M+HCOO]- 414.92087 179.9
[M+CH3COO]- 428.93652 188.7
[M+Na-2H]- 390.89734 176.1
[M]+ 369.92212 182.0
[M]- 369.92322 182.0
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