CID 155820052

2470441-26-8

Structural Information

Molecular Formula

C₉H₁₄F₂O₂

SMILES

C1C(CC2COCC1C2(F)F)CO

InChI

InChI=1S/C9H14F2O2/c10-9(11)7-1-6(3-12)2-8(9)5-13-4-7/h6-8,12H,1-5H2

InChIKey

VLOIKODOBYAGOR-UHFFFAOYSA-N

Compound name

(9,9-difluoro-3-oxabicyclo[3.3.1]nonan-7-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.09619 Da
Monoisotopic Mass: 1.1
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]+	193.103466	138.8
[M+Na]+	215.085408	145.4
[M-H]-	191.088914	138.0
[M+NH4]+	210.130013	160.1
[M+K]+	231.059348	144.1
[M+H-H2O]+	175.093450	132.6
[M+HCOO]-	237.094391	151.6
[M+CH3COO]-	251.110041	180.5
[M+Na-2H]-	213.070856	145.1
[M]+	192.09564142	132.7
[M]-	192.09673858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.