CID 155820144
2567503-04-0
Structural Information
- Molecular Formula
- C11H6Cl2FN5
- SMILES
- C1=CC(=C(C(=C1)F)Cl)CN2C3=C(C(=NC=N3)Cl)N=N2
- InChI
- InChI=1S/C11H6Cl2FN5/c12-8-6(2-1-3-7(8)14)4-19-11-9(17-18-19)10(13)15-5-16-11/h1-3,5H,4H2
- InChIKey
- IUISUGLPNWMTDU-UHFFFAOYSA-N
- Compound name
- 7-chloro-3-[(2-chloro-3-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 298.00572 | 159.0 |
[M+Na]+ | 319.98766 | 173.6 |
[M-H]- | 295.99116 | 158.7 |
[M+NH4]+ | 315.03226 | 171.8 |
[M+K]+ | 335.96160 | 165.7 |
[M+H-H2O]+ | 279.99570 | 147.6 |
[M+HCOO]- | 341.99664 | 168.0 |
[M+CH3COO]- | 356.01229 | 170.2 |
[M+Na-2H]- | 317.97311 | 164.3 |
[M]+ | 296.99789 | 163.5 |
[M]- | 296.99899 | 163.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.