CID 67975
Ethyl 3-fluorobenzoate
Structural Information
- Molecular Formula
- C9H9FO2
- SMILES
- CCOC(=O)C1=CC(=CC=C1)F
- InChI
- InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
- InChIKey
- SMMIKBXLEWTSJD-UHFFFAOYSA-N
- Compound name
- ethyl 3-fluorobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.06593 | 134.2 |
[M+Na]+ | 191.04787 | 146.3 |
[M+NH4]+ | 186.09247 | 142.1 |
[M+K]+ | 207.02181 | 140.2 |
[M-H]- | 167.05137 | 134.6 |
[M+Na-2H]- | 189.03332 | 140.5 |
[M]+ | 168.05810 | 135.9 |
[M]- | 168.05920 | 135.9 |