CID 2063348

2-(difluoromethoxy)benzoic acid

Structural Information

Molecular Formula

C₈H₆F₂O₃

SMILES

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

InChI

InChI=1S/C8H6F2O3/c9-8(10)13-6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)

InChIKey

AGDOJFCUKQMLHD-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 291
Patents: 188.0285 Da
Monoisotopic Mass: 2.5
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]+	189.03578	138.0
[M+Na]+	211.01772	147.7
[M+NH4]+	206.06232	143.9
[M+K]+	226.99166	143.5
[M-H]-	187.02122	135.6
[M+Na-2H]-	209.00317	142.1
[M]+	188.02795	138.3
[M]-	188.02905	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe