CID 16126157

3-(3-fluorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC(CC(=O)O)C1=CC(=CC=C1)F
InChI
InChI=1S/C10H11FO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13)
InChIKey
CVFYWUHOFYTCNJ-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

182.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 136.7
[M+Na]+ 205.06353 144.0
[M-H]- 181.06703 137.8
[M+NH4]+ 200.10813 156.0
[M+K]+ 221.03747 141.9
[M+H-H2O]+ 165.07157 130.5
[M+HCOO]- 227.07251 157.1
[M+CH3COO]- 241.08816 180.4
[M+Na-2H]- 203.04898 140.2
[M]+ 182.07376 135.3
[M]- 182.07486 135.3
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