CID 121207762

1934699-78-1

Structural Information

Molecular Formula

C₆H₁₀F₂O₂

SMILES

C1C(CC1(F)F)(CO)CO

InChI

InChI=1S/C6H10F2O2/c7-6(8)1-5(2-6,3-9)4-10/h9-10H,1-4H2

InChIKey

SHAHXNBOHWBVGV-UHFFFAOYSA-N

Compound name

[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 152.06488 Da
Monoisotopic Mass: 0.1
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]+	153.072156	129.9
[M+Na]+	175.054098	137.3
[M-H]-	151.057604	129.1
[M+NH4]+	170.098703	147.3
[M+K]+	191.028038	138.3
[M+H-H2O]+	135.062140	121.6
[M+HCOO]-	197.063081	147.4
[M+CH3COO]-	211.078731	173.5
[M+Na-2H]-	173.039546	136.0
[M]+	152.06433142	134.8
[M]-	152.06542858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe