CID 262902
2002-92-8
Structural Information
- Molecular Formula
- C9H5F5O2
- SMILES
- C(CC(=O)O)C1=C(C(=C(C(=C1F)F)F)F)F
- InChI
- InChI=1S/C9H5F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H2,(H,15,16)
- InChIKey
- KBAMYOFXGBJADC-UHFFFAOYSA-N
- Compound name
- 3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.02825 | 140.4 |
[M+Na]+ | 263.01019 | 152.2 |
[M-H]- | 239.01369 | 137.5 |
[M+NH4]+ | 258.05479 | 158.1 |
[M+K]+ | 278.98413 | 148.2 |
[M+H-H2O]+ | 223.01823 | 131.2 |
[M+HCOO]- | 285.01917 | 157.6 |
[M+CH3COO]- | 299.03482 | 192.7 |
[M+Na-2H]- | 260.99564 | 140.5 |
[M]+ | 240.02042 | 135.9 |
[M]- | 240.02152 | 135.9 |
Literature stripe
No literature data available for this compound.