CID 6486015

4-(3-fluorophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H11FO3
SMILES
C1=CC(=CC(=C1)F)OCCCC(=O)O
InChI
InChI=1S/C10H11FO3/c11-8-3-1-4-9(7-8)14-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2,(H,12,13)
InChIKey
IWYAMFRULTXSGV-UHFFFAOYSA-N
Compound name
4-(3-fluorophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

198.06923 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07651 142.0
[M+Na]+ 221.05845 152.9
[M+NH4]+ 216.10305 148.8
[M+K]+ 237.03239 147.4
[M-H]- 197.06195 141.3
[M+Na-2H]- 219.04390 147.0
[M]+ 198.06868 143.1
[M]- 198.06978 143.1
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