CID 6855
Benzoxiquine
Structural Information
- Molecular Formula
- C16H11NO2
- SMILES
- C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2N=CC=C3
- InChI
- InChI=1S/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H
- InChIKey
- BHKPHCKISVSDGV-UHFFFAOYSA-N
- Compound name
- quinolin-8-yl benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 250.08626 | 154.5 |
[M+Na]+ | 272.06820 | 162.5 |
[M-H]- | 248.07170 | 160.7 |
[M+NH4]+ | 267.11280 | 170.7 |
[M+K]+ | 288.04214 | 158.2 |
[M+H-H2O]+ | 232.07624 | 145.7 |
[M+HCOO]- | 294.07718 | 176.2 |
[M+CH3COO]- | 308.09283 | 166.8 |
[M+Na-2H]- | 270.05365 | 162.8 |
[M]+ | 249.07843 | 155.2 |
[M]- | 249.07953 | 155.2 |