CID 716710

5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl hydrosulfide

Structural Information

Molecular Formula
C9H7ClN2S3
SMILES
C1=CC=C(C(=C1)CSC2=NNC(=S)S2)Cl
InChI
InChI=1S/C9H7ClN2S3/c10-7-4-2-1-3-6(7)5-14-9-12-11-8(13)15-9/h1-4H,5H2,(H,11,13)
InChIKey
BFPAFAVRAFFYQK-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

273.94598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.95326 150.1
[M+Na]+ 296.93520 162.5
[M-H]- 272.93870 153.5
[M+NH4]+ 291.97980 167.1
[M+K]+ 312.90914 153.3
[M+H-H2O]+ 256.94324 145.6
[M+HCOO]- 318.94418 152.5
[M+CH3COO]- 332.95983 161.6
[M+Na-2H]- 294.92065 149.0
[M]+ 273.94543 151.9
[M]- 273.94653 151.9
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