CID 1393660

5002-38-0

Structural Information

Molecular Formula
C14H11FO2
SMILES
C1=CC(=CC(=C1)F)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C14H11FO2/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17)
InChIKey
UCTPBVNGTSRBFG-UHFFFAOYSA-N
Compound name
2-[4-(3-fluorophenyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

230.07431 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08159 151.1
[M+Na]+ 253.06353 165.0
[M+NH4]+ 248.10813 159.1
[M+K]+ 269.03747 157.7
[M-H]- 229.06703 153.8
[M+Na-2H]- 251.04898 159.5
[M]+ 230.07376 153.8
[M]- 230.07486 153.8
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