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

compound 2d structure
1
Annotation Hits

0
References

43
Patents

212.08487 Da
Monoisotopic Mass

2.2
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe