CID 55251

84392-17-6

Structural Information

Molecular Formula
C14H9F3O2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H9F3O2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)
InChIKey
IQOMYCGTGFGDFN-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1071
Patents

266.05545 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06273 161.3
[M+Na]+ 289.04467 171.9
[M+NH4]+ 284.08927 166.7
[M+K]+ 305.01861 166.1
[M-H]- 265.04817 159.9
[M+Na-2H]- 287.03012 167.1
[M]+ 266.05490 162.2
[M]- 266.05600 162.2
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