CID 165668115
En300-643431
Structural Information
- Molecular Formula
- C12H12F2O2
- SMILES
- CCC1=CC=C(C=C1)C2(CC2(F)F)C(=O)O
- InChI
- InChI=1S/C12H12F2O2/c1-2-8-3-5-9(6-4-8)11(10(15)16)7-12(11,13)14/h3-6H,2,7H2,1H3,(H,15,16)
- InChIKey
- IEAXOXBUJUYVFJ-UHFFFAOYSA-N
- Compound name
- 1-(4-ethylphenyl)-2,2-difluorocyclopropane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.08782 | 141.9 |
[M+Na]+ | 249.06976 | 152.7 |
[M-H]- | 225.07326 | 146.5 |
[M+NH4]+ | 244.11436 | 158.6 |
[M+K]+ | 265.04370 | 150.2 |
[M+H-H2O]+ | 209.07780 | 136.0 |
[M+HCOO]- | 271.07874 | 161.4 |
[M+CH3COO]- | 285.09439 | 190.3 |
[M+Na-2H]- | 247.05521 | 147.3 |
[M]+ | 226.07999 | 143.3 |
[M]- | 226.08109 | 143.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.