CID 50989229
2',3-difluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid
Structural Information
- Molecular Formula
- C14H10F2O3
- SMILES
- COC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F)F
- InChI
- InChI=1S/C14H10F2O3/c1-19-9-3-5-10(13(16)7-9)8-2-4-11(14(17)18)12(15)6-8/h2-7H,1H3,(H,17,18)
- InChIKey
- FRIJTPHMEJFKSW-UHFFFAOYSA-N
- Compound name
- 2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.06708 | 153.5 |
[M+Na]+ | 287.04902 | 163.4 |
[M-H]- | 263.05252 | 157.3 |
[M+NH4]+ | 282.09362 | 169.8 |
[M+K]+ | 303.02296 | 159.5 |
[M+H-H2O]+ | 247.05706 | 144.9 |
[M+HCOO]- | 309.05800 | 174.1 |
[M+CH3COO]- | 323.07365 | 195.7 |
[M+Na-2H]- | 285.03447 | 155.9 |
[M]+ | 264.05925 | 153.1 |
[M]- | 264.06035 | 153.1 |