CID 589439

3,6-difluoro-2-methoxyphenol

Structural Information

Molecular Formula

C₇H₆F₂O₂

SMILES

COC1=C(C=CC(=C1O)F)F

InChI

InChI=1S/C7H6F2O2/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3,10H,1H3

InChIKey

NMQMZOBMVSWMST-UHFFFAOYSA-N

Compound name

3,6-difluoro-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 160.03358 Da
Monoisotopic Mass: 1.7
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	131.0
[M+Na]+	183.02280	142.7
[M+NH4]+	178.06740	138.1
[M+K]+	198.99674	137.1
[M-H]-	159.02630	129.8
[M+Na-2H]-	181.00825	136.2
[M]+	160.03303	132.1
[M]-	160.03413	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe