CID 2398458

51679-46-0

Structural Information

Molecular Formula

C₁₄H₁₁F₂NO₃

SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C14H11F2NO3/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)

InChIKey

VATLFRMTHALRQT-UHFFFAOYSA-N

Compound name

2-[4-(difluoromethoxy)anilino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 279.0707 Da
Monoisotopic Mass: 5.3
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]+	280.077976	158.4
[M+Na]+	302.059918	165.1
[M-H]-	278.063424	161.3
[M+NH4]+	297.104523	172.9
[M+K]+	318.033858	161.6
[M+H-H2O]+	262.067960	149.0
[M+HCOO]-	324.068901	179.0
[M+CH3COO]-	338.084551	199.3
[M+Na-2H]-	300.045366	161.3
[M]+	279.07015142	155.8
[M]-	279.07124858	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.