CID 131455676

3-(difluoromethoxy)cyclobutanol

Structural Information

Molecular Formula

C₅H₈F₂O₂

SMILES

C1C(CC1OC(F)F)O

InChI

InChI=1S/C5H8F2O2/c6-5(7)9-4-1-3(8)2-4/h3-5,8H,1-2H2

InChIKey

UVEIXTWAJXLWOK-UHFFFAOYSA-N

Compound name

3-(difluoromethoxy)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 138.04924 Da
Monoisotopic Mass: 1.0
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]+	139.056516	123.0
[M+Na]+	161.038458	129.2
[M-H]-	137.041964	122.9
[M+NH4]+	156.083063	137.5
[M+K]+	177.012398	131.7
[M+H-H2O]+	121.046500	111.9
[M+HCOO]-	183.047441	141.3
[M+CH3COO]-	197.063091	174.5
[M+Na-2H]-	159.023906	126.7
[M]+	138.04869142	128.0
[M]-	138.04978858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe