CID 12668483
1-(5-chloro-pyrazolo[3,4-c]pyridin-1-yl)-ethanone
Structural Information
- Molecular Formula
- C8H6ClN3O
- SMILES
- CC(=O)N1C2=CN=C(C=C2C=N1)Cl
- InChI
- InChI=1S/C8H6ClN3O/c1-5(13)12-7-4-10-8(9)2-6(7)3-11-12/h2-4H,1H3
- InChIKey
- MBQYZUMHHMYCBJ-UHFFFAOYSA-N
- Compound name
- 1-(5-chloropyrazolo[3,4-c]pyridin-1-yl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 196.02722 | 136.3 |
[M+Na]+ | 218.00916 | 149.2 |
[M-H]- | 194.01266 | 137.8 |
[M+NH4]+ | 213.05376 | 155.9 |
[M+K]+ | 233.98310 | 145.0 |
[M+H-H2O]+ | 178.01720 | 129.2 |
[M+HCOO]- | 240.01814 | 154.0 |
[M+CH3COO]- | 254.03379 | 150.5 |
[M+Na-2H]- | 215.99461 | 143.3 |
[M]+ | 195.01939 | 141.0 |
[M]- | 195.02049 | 141.0 |
Literature stripe
No literature data available for this compound.