CID 12160617
1-(3-azidophenyl)ethanone
Structural Information
- Molecular Formula
- C8H7N3O
- SMILES
- CC(=O)C1=CC(=CC=C1)N=[N+]=[N-]
- InChI
- InChI=1S/C8H7N3O/c1-6(12)7-3-2-4-8(5-7)10-11-9/h2-5H,1H3
- InChIKey
- HANPLRJJHYSJSF-UHFFFAOYSA-N
- Compound name
- 1-(3-azidophenyl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 162.06619 | 130.0 |
[M+Na]+ | 184.04813 | 137.4 |
[M-H]- | 160.05163 | 136.7 |
[M+NH4]+ | 179.09273 | 150.8 |
[M+K]+ | 200.02207 | 132.0 |
[M+H-H2O]+ | 144.05617 | 128.1 |
[M+HCOO]- | 206.05711 | 161.1 |
[M+CH3COO]- | 220.07276 | 181.2 |
[M+Na-2H]- | 182.03358 | 140.2 |
[M]+ | 161.05836 | 128.1 |
[M]- | 161.05946 | 128.1 |