CID 162730

2',4'-difluorobiphenyl-4-acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
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

literature stripe

Patent stripe

patents stripe