CID 53847253

Methyl 3,5-difluoro-4-hydroxybenzoate

Structural Information

Molecular Formula

C₈H₆F₂O₃

SMILES

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

InChI

InChI=1S/C8H6F2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3

InChIKey

GNFQIZAZPRYIFJ-UHFFFAOYSA-N

Compound name

methyl 3,5-difluoro-4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 188.0285 Da
Monoisotopic Mass: 1.8
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	138.4
[M+Na]+	211.01772	149.1
[M+NH4]+	206.06232	144.4
[M+K]+	226.99166	144.5
[M-H]-	187.02122	136.2
[M+Na-2H]-	209.00317	142.3
[M]+	188.02795	138.9
[M]-	188.02905	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe