CID 29206
18672-14-5
Structural Information
- Molecular Formula
- C15H12ClNO2
- SMILES
- CC1N(C(=O)C2=C(O1)C=CC(=C2)Cl)C3=CC=CC=C3
- InChI
- InChI=1S/C15H12ClNO2/c1-10-17(12-5-3-2-4-6-12)15(18)13-9-11(16)7-8-14(13)19-10/h2-10H,1H3
- InChIKey
- DUYHAUBHGQFDGK-UHFFFAOYSA-N
- Compound name
- 6-chloro-2-methyl-3-phenyl-2H-1,3-benzoxazin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 274.06294 | 159.4 |
[M+Na]+ | 296.04488 | 169.8 |
[M-H]- | 272.04838 | 166.4 |
[M+NH4]+ | 291.08948 | 175.1 |
[M+K]+ | 312.01882 | 165.1 |
[M+H-H2O]+ | 256.05292 | 151.6 |
[M+HCOO]- | 318.05386 | 174.0 |
[M+CH3COO]- | 332.06951 | 171.9 |
[M+Na-2H]- | 294.03033 | 165.2 |
[M]+ | 273.05511 | 161.7 |
[M]- | 273.05621 | 161.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.