CID 55266238

2-[4-(difluoromethoxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₀F₂O₂

SMILES

C1=CC(=CC=C1CCO)OC(F)F

InChI

InChI=1S/C9H10F2O2/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9,12H,5-6H2

InChIKey

QHCZMLWSRRFIBK-UHFFFAOYSA-N

Compound name

2-[4-(difluoromethoxy)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 188.06488 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]+	189.07216	136.0
[M+Na]+	211.05410	143.7
[M-H]-	187.05760	135.8
[M+NH4]+	206.09870	155.1
[M+K]+	227.02804	141.5
[M+H-H2O]+	171.06214	128.7
[M+HCOO]-	233.06308	156.4
[M+CH3COO]-	247.07873	180.1
[M+Na-2H]-	209.03955	140.6
[M]+	188.06433	134.4
[M]-	188.06543	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe