CID 379413
Nsc663955
Structural Information
- Molecular Formula
- C12H7N5O
- SMILES
- C1=CC=C(C=C1)N2N=C3C=CC4=NON=C4C3=N2
- InChI
- InChI=1S/C12H7N5O/c1-2-4-8(5-3-1)17-13-9-6-7-10-12(11(9)14-17)16-18-15-10/h1-7H
- InChIKey
- UCJIIFNNCIAKES-UHFFFAOYSA-N
- Compound name
- 7-phenyltriazolo[4,5-g][2,1,3]benzoxadiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 238.07234 | 147.7 |
[M+Na]+ | 260.05428 | 161.9 |
[M-H]- | 236.05778 | 152.3 |
[M+NH4]+ | 255.09888 | 163.0 |
[M+K]+ | 276.02822 | 157.7 |
[M+H-H2O]+ | 220.06232 | 138.1 |
[M+HCOO]- | 282.06326 | 169.2 |
[M+CH3COO]- | 296.07891 | 161.4 |
[M+Na-2H]- | 258.03973 | 156.7 |
[M]+ | 237.06451 | 153.4 |
[M]- | 237.06561 | 153.4 |
Literature stripe
Patent stripe
No patent data available for this compound.