CID 75921
Perfluoropentanoic acid
Structural Information
- Molecular Formula
- C5HF9O2
- SMILES
- C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
- InChI
- InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
- InChIKey
- CXZGQIAOTKWCDB-UHFFFAOYSA-N
- Compound name
- 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 264.99056 | 141.1 |
[M+Na]+ | 286.97250 | 150.3 |
[M-H]- | 262.97600 | 129.7 |
[M+NH4]+ | 282.01710 | 156.2 |
[M+K]+ | 302.94644 | 148.3 |
[M+H-H2O]+ | 246.98054 | 130.9 |
[M+HCOO]- | 308.98148 | 147.5 |
[M+CH3COO]- | 322.99713 | 192.9 |
[M+Na-2H]- | 284.95795 | 145.2 |
[M]+ | 263.98273 | 126.9 |
[M]- | 263.98383 | 126.9 |