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: 295
Patents: 297.06128 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.068556	161.3
[M+Na]+	320.050498	168.9
[M-H]-	296.054004	163.1
[M+NH4]+	315.095103	175.2
[M+K]+	336.024438	164.8
[M+H-H2O]+	280.058540	151.4
[M+HCOO]-	342.059481	180.2
[M+CH3COO]-	356.075131	200.8
[M+Na-2H]-	318.035946	165.7
[M]+	297.06073142	157.6
[M]-	297.06182858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe