CID 155978140

2624139-63-3

Structural Information

Molecular Formula

C₇H₁₂F₂O₂

SMILES

COC1(CC(C1)CO)C(F)F

InChI

InChI=1S/C7H12F2O2/c1-11-7(6(8)9)2-5(3-7)4-10/h5-6,10H,2-4H2,1H3

InChIKey

IYQWTLPYAPTCDB-UHFFFAOYSA-N

Compound name

[3-(difluoromethyl)-3-methoxycyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.08054 Da
Monoisotopic Mass: 0.9
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]+	167.08782	133.9
[M+Na]+	189.06976	140.1
[M-H]-	165.07326	133.8
[M+NH4]+	184.11436	149.3
[M+K]+	205.04370	142.2
[M+H-H2O]+	149.07780	123.8
[M+HCOO]-	211.07874	151.5
[M+CH3COO]-	225.09439	180.0
[M+Na-2H]-	187.05521	137.5
[M]+	166.07999	139.9
[M]-	166.08109	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.