CID 16768711

3-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid

Structural Information

Molecular Formula
C14H8F4O2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=C(C=C2)C(=O)O)F
InChI
InChI=1S/C14H8F4O2/c15-12-7-9(4-5-11(12)13(19)20)8-2-1-3-10(6-8)14(16,17)18/h1-7H,(H,19,20)
InChIKey
FOMRSNDIYBAOSO-UHFFFAOYSA-N
Compound name
2-fluoro-4-[3-(trifluoromethyl)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

284.04605 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05333 156.9
[M+Na]+ 307.03527 166.6
[M-H]- 283.03877 157.9
[M+NH4]+ 302.07987 172.1
[M+K]+ 323.00921 161.5
[M+H-H2O]+ 267.04331 147.0
[M+HCOO]- 329.04425 173.5
[M+CH3COO]- 343.05990 197.7
[M+Na-2H]- 305.02072 159.5
[M]+ 284.04550 151.7
[M]- 284.04660 151.7
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