CID 136576325
2-[(4-fluorophenyl)methyl]oxolane-2-carboxylic acid
Structural Information
- Molecular Formula
- C12H13FO3
- SMILES
- C1CC(OC1)(CC2=CC=C(C=C2)F)C(=O)O
- InChI
- InChI=1S/C12H13FO3/c13-10-4-2-9(3-5-10)8-12(11(14)15)6-1-7-16-12/h2-5H,1,6-8H2,(H,14,15)
- InChIKey
- ZBTBLCIDBRXSDZ-UHFFFAOYSA-N
- Compound name
- 2-[(4-fluorophenyl)methyl]oxolane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.09215 | 147.1 |
[M+Na]+ | 247.07409 | 154.0 |
[M-H]- | 223.07759 | 151.8 |
[M+NH4]+ | 242.11869 | 166.7 |
[M+K]+ | 263.04803 | 152.4 |
[M+H-H2O]+ | 207.08213 | 140.9 |
[M+HCOO]- | 269.08307 | 166.5 |
[M+CH3COO]- | 283.09872 | 183.5 |
[M+Na-2H]- | 245.05954 | 151.0 |
[M]+ | 224.08432 | 144.8 |
[M]- | 224.08542 | 144.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.