CID 22556441
5-(4-fluorophenoxy)valeric acid
Structural Information
- Molecular Formula
- C11H13FO3
- SMILES
- C1=CC(=CC=C1OCCCCC(=O)O)F
- InChI
- InChI=1S/C11H13FO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8H2,(H,13,14)
- InChIKey
- SNUHBWJBUYDESY-UHFFFAOYSA-N
- Compound name
- 5-(4-fluorophenoxy)pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 213.09215 | 144.4 |
[M+Na]+ | 235.07409 | 151.4 |
[M-H]- | 211.07759 | 145.2 |
[M+NH4]+ | 230.11869 | 162.4 |
[M+K]+ | 251.04803 | 149.1 |
[M+H-H2O]+ | 195.08213 | 137.5 |
[M+HCOO]- | 257.08307 | 165.6 |
[M+CH3COO]- | 271.09872 | 184.6 |
[M+Na-2H]- | 233.05954 | 148.5 |
[M]+ | 212.08432 | 145.4 |
[M]- | 212.08542 | 145.4 |
Literature stripe
No literature data available for this compound.