CID 18788764
Methyl 4-fluoro-3-methylbenzoate
Structural Information
- Molecular Formula
- C9H9FO2
- SMILES
- CC1=C(C=CC(=C1)C(=O)OC)F
- InChI
- InChI=1S/C9H9FO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
- InChIKey
- OCDIFIYFPFLAOU-UHFFFAOYSA-N
- Compound name
- methyl 4-fluoro-3-methylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.06593 | 133.9 |
[M+Na]+ | 191.04787 | 146.5 |
[M+NH4]+ | 186.09247 | 141.8 |
[M+K]+ | 207.02181 | 140.5 |
[M-H]- | 167.05137 | 134.5 |
[M+Na-2H]- | 189.03332 | 140.1 |
[M]+ | 168.05810 | 135.7 |
[M]- | 168.05920 | 135.7 |
Literature stripe
No literature data available for this compound.