CID 50989229

2',3-difluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid

Structural Information

Molecular Formula
C14H10F2O3
SMILES
COC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F)F
InChI
InChI=1S/C14H10F2O3/c1-19-9-3-5-10(13(16)7-9)8-2-4-11(14(17)18)12(15)6-8/h2-7H,1H3,(H,17,18)
InChIKey
FRIJTPHMEJFKSW-UHFFFAOYSA-N
Compound name
2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

264.0598 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06708 153.5
[M+Na]+ 287.04902 163.4
[M-H]- 263.05252 157.3
[M+NH4]+ 282.09362 169.8
[M+K]+ 303.02296 159.5
[M+H-H2O]+ 247.05706 144.9
[M+HCOO]- 309.05800 174.1
[M+CH3COO]- 323.07365 195.7
[M+Na-2H]- 285.03447 155.9
[M]+ 264.05925 153.1
[M]- 264.06035 153.1
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