CID 4307444
6-fluoroindole-2-carboxylic acid
Structural Information
- Molecular Formula
- C9H6FNO2
- SMILES
- C1=CC2=C(C=C1F)NC(=C2)C(=O)O
- InChI
- InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
- InChIKey
- LRTIKMXIKAOCDM-UHFFFAOYSA-N
- Compound name
- 6-fluoro-1H-indole-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 180.04553 | 133.9 |
[M+Na]+ | 202.02747 | 145.9 |
[M+NH4]+ | 197.07207 | 141.3 |
[M+K]+ | 218.00141 | 142.4 |
[M-H]- | 178.03097 | 132.9 |
[M+Na-2H]- | 200.01292 | 138.8 |
[M]+ | 179.03770 | 135.0 |
[M]- | 179.03880 | 135.0 |