CID 2806356
6-chloro-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Structural Information
- Molecular Formula
- C12H10ClNO3
- SMILES
- CCN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)O
- InChI
- InChI=1S/C12H10ClNO3/c1-2-14-6-9(12(16)17)11(15)8-5-7(13)3-4-10(8)14/h3-6H,2H2,1H3,(H,16,17)
- InChIKey
- YVRGGPBWRTYCDP-UHFFFAOYSA-N
- Compound name
- 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 252.04221 | 148.7 |
[M+Na]+ | 274.02415 | 160.4 |
[M-H]- | 250.02765 | 151.5 |
[M+NH4]+ | 269.06875 | 166.5 |
[M+K]+ | 289.99809 | 155.3 |
[M+H-H2O]+ | 234.03219 | 143.3 |
[M+HCOO]- | 296.03313 | 164.8 |
[M+CH3COO]- | 310.04878 | 191.8 |
[M+Na-2H]- | 272.00960 | 153.8 |
[M]+ | 251.03438 | 153.2 |
[M]- | 251.03548 | 153.2 |