CID 12052142
3-(3,4-difluorophenyl)-2-methylpropanoic acid
Structural Information
- Molecular Formula
- C10H10F2O2
- SMILES
- CC(CC1=CC(=C(C=C1)F)F)C(=O)O
- InChI
- InChI=1S/C10H10F2O2/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)
- InChIKey
- UBWKSHCOWRUZGP-UHFFFAOYSA-N
- Compound name
- 3-(3,4-difluorophenyl)-2-methylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.07216 | 144.0 |
[M+Na]+ | 223.05410 | 154.1 |
[M+NH4]+ | 218.09870 | 150.2 |
[M+K]+ | 239.02804 | 149.1 |
[M-H]- | 199.05760 | 142.1 |
[M+Na-2H]- | 221.03955 | 147.8 |
[M]+ | 200.06433 | 144.6 |
[M]- | 200.06543 | 144.6 |
Literature stripe
No literature data available for this compound.