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
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 |