CID 254568
247-92-7
Structural Information
- Molecular Formula
- C8H5N3S
- SMILES
- C1=CC=C2C(=C1)N3C=NN=C3S2
- InChI
- InChI=1S/C8H5N3S/c1-2-4-7-6(3-1)11-5-9-10-8(11)12-7/h1-5H
- InChIKey
- BGFURDBGMRKOTL-UHFFFAOYSA-N
- Compound name
- [1,2,4]triazolo[3,4-b][1,3]benzothiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.02770 | 130.8 |
[M+Na]+ | 198.00964 | 146.1 |
[M+NH4]+ | 193.05424 | 141.1 |
[M+K]+ | 213.98358 | 140.2 |
[M-H]- | 174.01314 | 132.9 |
[M+Na-2H]- | 195.99509 | 138.2 |
[M]+ | 175.01987 | 134.2 |
[M]- | 175.02097 | 134.2 |