CID 54594091

3-fluoro-4-(4-fluoro-2-methylphenyl)benzoic acid

Structural Information

Molecular Formula
C14H10F2O2
SMILES
CC1=C(C=CC(=C1)F)C2=C(C=C(C=C2)C(=O)O)F
InChI
InChI=1S/C14H10F2O2/c1-8-6-10(15)3-5-11(8)12-4-2-9(14(17)18)7-13(12)16/h2-7H,1H3,(H,17,18)
InChIKey
FUVOMDPCBPLUTC-UHFFFAOYSA-N
Compound name
3-fluoro-4-(4-fluoro-2-methylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06488 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07216 150.2
[M+Na]+ 271.05410 160.2
[M-H]- 247.05760 154.0
[M+NH4]+ 266.09870 167.2
[M+K]+ 287.02804 155.6
[M+H-H2O]+ 231.06214 141.9
[M+HCOO]- 293.06308 170.5
[M+CH3COO]- 307.07873 193.6
[M+Na-2H]- 269.03955 152.6
[M]+ 248.06433 148.3
[M]- 248.06543 148.3
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

No patent data available for this compound.