CID 3040097

51679-41-5

Structural Information

Molecular Formula
C14H10F3NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C14H10F3NO3/c15-14(16,17)21-10-7-5-9(6-8-10)18-12-4-2-1-3-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKey
YZBGUDOBFPDWKS-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethoxy)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

297.06128 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06856 161.3
[M+Na]+ 320.05050 168.9
[M-H]- 296.05400 163.1
[M+NH4]+ 315.09510 175.2
[M+K]+ 336.02444 164.8
[M+H-H2O]+ 280.05854 151.4
[M+HCOO]- 342.05948 180.2
[M+CH3COO]- 356.07513 200.8
[M+Na-2H]- 318.03595 165.7
[M]+ 297.06073 157.6
[M]- 297.06183 157.6
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