CID 69401506
2-(4-cyano-2-fluorophenyl)acetic acid
Structural Information
- Molecular Formula
- C9H6FNO2
- SMILES
- C1=CC(=C(C=C1C#N)F)CC(=O)O
- InChI
- InChI=1S/C9H6FNO2/c10-8-3-6(5-11)1-2-7(8)4-9(12)13/h1-3H,4H2,(H,12,13)
- InChIKey
- VDBHEZPYTTTZRP-UHFFFAOYSA-N
- Compound name
- 2-(4-cyano-2-fluorophenyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 180.04553 | 137.2 |
[M+Na]+ | 202.02747 | 148.6 |
[M+NH4]+ | 197.07207 | 140.9 |
[M+K]+ | 218.00141 | 140.0 |
[M-H]- | 178.03097 | 129.6 |
[M+Na-2H]- | 200.01292 | 140.0 |
[M]+ | 179.03770 | 135.7 |
[M]- | 179.03880 | 135.7 |
Literature stripe
No literature data available for this compound.