CID 89613364

1443380-09-3

Structural Information

Molecular Formula

C₇H₁₂F₂O₂

SMILES

C1COCCC1C(CO)(F)F

InChI

InChI=1S/C7H12F2O2/c8-7(9,5-10)6-1-3-11-4-2-6/h6,10H,1-5H2

InChIKey

RBECYHGIERJLHV-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-(oxan-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 166.08054 Da
Monoisotopic Mass: 0.8
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]+	167.08782	132.4
[M+Na]+	189.06976	137.7
[M-H]-	165.07326	131.9
[M+NH4]+	184.11436	150.7
[M+K]+	205.04370	137.5
[M+H-H2O]+	149.07780	125.9
[M+HCOO]-	211.07874	147.7
[M+CH3COO]-	225.09439	173.5
[M+Na-2H]-	187.05521	138.8
[M]+	166.07999	126.1
[M]-	166.08109	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe