CID 40424080

886363-26-4

Structural Information

Molecular Formula
C14H10F2O2
SMILES
C1=CC(=CC=C1CC(=O)O)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C14H10F2O2/c15-12-6-11(7-13(16)8-12)10-3-1-9(2-4-10)5-14(17)18/h1-4,6-8H,5H2,(H,17,18)
InChIKey
INSAZACHUCPLOA-UHFFFAOYSA-N
Compound name
2-[4-(3,5-difluorophenyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

248.06488 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07216 150.8
[M+Na]+ 271.05410 159.8
[M-H]- 247.05760 154.2
[M+NH4]+ 266.09870 167.4
[M+K]+ 287.02804 155.2
[M+H-H2O]+ 231.06214 142.2
[M+HCOO]- 293.06308 171.1
[M+CH3COO]- 307.07873 192.4
[M+Na-2H]- 269.03955 153.8
[M]+ 248.06433 148.5
[M]- 248.06543 148.5
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