CID 4395784
4-(2-nitro-1,1,2-trimethylpropyl)benzophenone
Structural Information
- Molecular Formula
- C19H21NO3
- SMILES
- CC(C)(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(C)(C)[N+](=O)[O-]
- InChI
- InChI=1S/C19H21NO3/c1-18(2,19(3,4)20(22)23)16-12-10-15(11-13-16)17(21)14-8-6-5-7-9-14/h5-13H,1-4H3
- InChIKey
- SJLJPZOVZYFZIG-UHFFFAOYSA-N
- Compound name
- [4-(2,3-dimethyl-3-nitrobutan-2-yl)phenyl]-phenylmethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 312.15941 | 172.4 |
[M+Na]+ | 334.14135 | 177.0 |
[M-H]- | 310.14485 | 178.9 |
[M+NH4]+ | 329.18595 | 185.9 |
[M+K]+ | 350.11529 | 170.0 |
[M+H-H2O]+ | 294.14939 | 169.8 |
[M+HCOO]- | 356.15033 | 192.5 |
[M+CH3COO]- | 370.16598 | 202.1 |
[M+Na-2H]- | 332.12680 | 179.6 |
[M]+ | 311.15158 | 171.6 |
[M]- | 311.15268 | 171.6 |
Literature stripe
No literature data available for this compound.