CID 3078872
Brn 5967292
Structural Information
- Molecular Formula
- C15H10ClNO3
- SMILES
- CN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)OC1=O
- InChI
- InChI=1S/C15H10ClNO3/c1-17-12-7-4-10(8-13(12)20-15(17)19)14(18)9-2-5-11(16)6-3-9/h2-8H,1H3
- InChIKey
- CFTKMMJMJRFCBZ-UHFFFAOYSA-N
- Compound name
- 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 288.04218 | 160.3 |
[M+Na]+ | 310.02412 | 173.5 |
[M-H]- | 286.02762 | 168.8 |
[M+NH4]+ | 305.06872 | 177.5 |
[M+K]+ | 325.99806 | 168.9 |
[M+H-H2O]+ | 270.03216 | 153.6 |
[M+HCOO]- | 332.03310 | 179.4 |
[M+CH3COO]- | 346.04875 | 174.4 |
[M+Na-2H]- | 308.00957 | 165.2 |
[M]+ | 287.03435 | 167.9 |
[M]- | 287.03545 | 167.9 |
Literature stripe
No literature data available for this compound.