CID 56237
Lonapalene
Structural Information
- Molecular Formula
- C16H15ClO6
- SMILES
- CC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C)OC)OC
- InChI
- InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
- InChIKey
- IFWMVQUGSGWCRP-UHFFFAOYSA-N
- Compound name
- (4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.06301 | 168.8 |
[M+Na]+ | 361.04495 | 179.4 |
[M-H]- | 337.04845 | 174.4 |
[M+NH4]+ | 356.08955 | 185.2 |
[M+K]+ | 377.01889 | 177.3 |
[M+H-H2O]+ | 321.05299 | 163.2 |
[M+HCOO]- | 383.05393 | 186.0 |
[M+CH3COO]- | 397.06958 | 210.8 |
[M+Na-2H]- | 359.03040 | 170.9 |
[M]+ | 338.05518 | 180.2 |
[M]- | 338.05628 | 180.2 |