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: 9
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]+	153.07216	135.6
[M+Na]+	175.05410	139.5
[M+NH4]+	170.09870	140.7
[M+K]+	191.02804	133.5
[M-H]-	151.05760	130.1
[M+Na-2H]-	173.03955	138.2
[M]+	152.06433	133.4
[M]-	152.06543	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe