CID 15491036

4-(2-fluorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H11FO2
SMILES
C1=CC=C(C(=C1)CCCC(=O)O)F
InChI
InChI=1S/C10H11FO2/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-2,4,6H,3,5,7H2,(H,12,13)
InChIKey
BFPNQUKYBZXOSL-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

182.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.081586 136.6
[M+Na]+ 205.063528 144.2
[M-H]- 181.067034 137.7
[M+NH4]+ 200.108133 156.0
[M+K]+ 221.037468 141.6
[M+H-H2O]+ 165.071570 130.3
[M+HCOO]- 227.072511 158.0
[M+CH3COO]- 241.088161 179.5
[M+Na-2H]- 203.048976 141.3
[M]+ 182.07376142 135.8
[M]- 182.07485858 135.8
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