CID 15783623

130728-23-3

Structural Information

Molecular Formula

C₉H₁₀F₂O₂

SMILES

COC1=CC=C(C=C1)C(C(F)F)O

InChI

InChI=1S/C9H10F2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3

InChIKey

ISFCVJGNLBFSOB-UHFFFAOYSA-N

Compound name

2,2-difluoro-1-(4-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.06488 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]+	189.072156	136.2
[M+Na]+	211.054098	143.7
[M-H]-	187.057604	136.0
[M+NH4]+	206.098703	155.2
[M+K]+	227.028038	142.0
[M+H-H2O]+	171.062140	129.0
[M+HCOO]-	233.063081	155.6
[M+CH3COO]-	247.078731	181.0
[M+Na-2H]-	209.039546	139.6
[M]+	188.06433142	133.9
[M]-	188.06542858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe