CID 707055

10253-83-5

Structural Information

Molecular Formula
C8H7N3S2
SMILES
C1=CC=C(C=C1)NC2=NNC(=S)S2
InChI
InChI=1S/C8H7N3S2/c12-8-11-10-7(13-8)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
InChIKey
BOJLJKMUGYYKCZ-UHFFFAOYSA-N
Compound name
5-anilino-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

21
Patents

209.00813 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01541 138.9
[M+Na]+ 231.99735 150.9
[M+NH4]+ 227.04195 147.9
[M+K]+ 247.97129 142.3
[M-H]- 208.00085 142.5
[M+Na-2H]- 229.98280 146.1
[M]+ 209.00758 142.4
[M]- 209.00868 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe