CID 68524

4-(4-fluorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H11FO2
SMILES
C1=CC(=CC=C1CCCC(=O)O)F
InChI
InChI=1S/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChIKey
XVQYBBYOYJXQBF-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

267
Patents

182.07431 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 139.0
[M+Na]+ 205.06353 150.3
[M+NH4]+ 200.10813 146.3
[M+K]+ 221.03747 144.2
[M-H]- 181.06703 138.8
[M+Na-2H]- 203.04898 144.4
[M]+ 182.07376 140.3
[M]- 182.07486 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe