CID 707055

5-(phenylamino)-1,3,4-thiadiazole-2(3h)-thione

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
2
Annotation Hits

10
References

43
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 138.2
[M+Na]+ 231.99735 148.8
[M-H]- 208.00085 141.7
[M+NH4]+ 227.04195 156.3
[M+K]+ 247.97129 142.3
[M+H-H2O]+ 192.00539 131.8
[M+HCOO]- 254.00633 152.0
[M+CH3COO]- 268.02198 150.8
[M+Na-2H]- 229.98280 140.7
[M]+ 209.00758 137.6
[M]- 209.00868 137.6
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.