CID 2774124

4-(difluoromethoxy)phenol

Structural Information

Molecular Formula

C₇H₆F₂O₂

SMILES

C1=CC(=CC=C1O)OC(F)F

InChI

InChI=1S/C7H6F2O2/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7,10H

InChIKey

BNHAYQSUBZKWAG-UHFFFAOYSA-N

Compound name

4-(difluoromethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 338
Patents: 160.03358 Da
Monoisotopic Mass: 2.3
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]+	161.04086	126.5
[M+Na]+	183.02280	135.1
[M-H]-	159.02630	126.6
[M+NH4]+	178.06740	146.7
[M+K]+	198.99674	133.4
[M+H-H2O]+	143.03084	119.6
[M+HCOO]-	205.03178	147.6
[M+CH3COO]-	219.04743	174.1
[M+Na-2H]-	181.00825	132.2
[M]+	160.03303	124.1
[M]-	160.03413	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe