CID 22219975

2,6-difluoro-4-hydroxybenzyl alcohol

Structural Information

Molecular Formula

C₇H₆F₂O₂

SMILES

C1=C(C=C(C(=C1F)CO)F)O

InChI

InChI=1S/C7H6F2O2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,10-11H,3H2

InChIKey

RQMJWCOEDWMJLS-UHFFFAOYSA-N

Compound name

3,5-difluoro-4-(hydroxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 160.03358 Da
Monoisotopic Mass: 0.9
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	131.1
[M+Na]+	183.02280	142.2
[M+NH4]+	178.06740	137.9
[M+K]+	198.99674	137.0
[M-H]-	159.02630	129.4
[M+Na-2H]-	181.00825	135.7
[M]+	160.03303	131.9
[M]-	160.03413	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe