CID 912889
Bis(1-benzotriazolyl)methanethione
Structural Information
- Molecular Formula
- C13H8N6S
- SMILES
- C1=CC=C2C(=C1)N=NN2C(=S)N3C4=CC=CC=C4N=N3
- InChI
- InChI=1S/C13H8N6S/c20-13(18-11-7-3-1-5-9(11)14-16-18)19-12-8-4-2-6-10(12)15-17-19/h1-8H
- InChIKey
- ZRXHYHZENMJKMG-UHFFFAOYSA-N
- Compound name
- bis(benzotriazol-1-yl)methanethione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.06038 | 161.2 |
[M+Na]+ | 303.04232 | 176.4 |
[M-H]- | 279.04582 | 164.7 |
[M+NH4]+ | 298.08692 | 176.0 |
[M+K]+ | 319.01626 | 169.9 |
[M+H-H2O]+ | 263.05036 | 152.7 |
[M+HCOO]- | 325.05130 | 176.8 |
[M+CH3COO]- | 339.06695 | 173.6 |
[M+Na-2H]- | 301.02777 | 165.3 |
[M]+ | 280.05255 | 167.2 |
[M]- | 280.05365 | 167.2 |