CID 55265274
Methyl 5-cyano-2-fluorobenzoate
Structural Information
- Molecular Formula
- C9H6FNO2
- SMILES
- COC(=O)C1=C(C=CC(=C1)C#N)F
- InChI
- InChI=1S/C9H6FNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,1H3
- InChIKey
- ZIQLDZYJUIPASJ-UHFFFAOYSA-N
- Compound name
- methyl 5-cyano-2-fluorobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 180.04553 | 136.9 |
[M+Na]+ | 202.02747 | 148.7 |
[M+NH4]+ | 197.07207 | 140.9 |
[M+K]+ | 218.00141 | 139.8 |
[M-H]- | 178.03097 | 129.7 |
[M+Na-2H]- | 200.01292 | 140.2 |
[M]+ | 179.03770 | 135.6 |
[M]- | 179.03880 | 135.6 |
Literature stripe
No literature data available for this compound.