CID 170155

4'-hydroxyflufenamic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.06128 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06856 161.4
[M+Na]+ 320.05050 169.5
[M-H]- 296.05400 162.2
[M+NH4]+ 315.09510 174.9
[M+K]+ 336.02444 164.7
[M+H-H2O]+ 280.05854 152.1
[M+HCOO]- 342.05948 178.8
[M+CH3COO]- 356.07513 199.8
[M+Na-2H]- 318.03595 164.6
[M]+ 297.06073 156.2
[M]- 297.06183 156.2
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