CID 129915417

2-(difluoromethoxy)-4-fluorophenol

Structural Information

Molecular Formula

C₇H₅F₃O₂

SMILES

C1=CC(=C(C=C1F)OC(F)F)O

InChI

InChI=1S/C7H5F3O2/c8-4-1-2-5(11)6(3-4)12-7(9)10/h1-3,7,11H

InChIKey

WRSUDQTWRZBKRS-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)-4-fluorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 178.02417 Da
Monoisotopic Mass: 1.9
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]+	179.03145	137.3
[M+Na]+	201.01339	146.8
[M+NH4]+	196.05799	143.1
[M+K]+	216.98733	142.0
[M-H]-	177.01689	134.3
[M+Na-2H]-	198.99884	141.2
[M]+	178.02362	137.4
[M]-	178.02472	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe