CID 131227819

1936706-08-9

Structural Information

Molecular Formula

C₆H₁₁F₂NO₂

SMILES

C1C(CN1CCO)OC(F)F

InChI

InChI=1S/C6H11F2NO2/c7-6(8)11-5-3-9(4-5)1-2-10/h5-6,10H,1-4H2

InChIKey

OTTGGTOOQCAUMB-UHFFFAOYSA-N

Compound name

2-[3-(difluoromethoxy)azetidin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.07579 Da
Monoisotopic Mass: 0.2
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]+	168.08307	132.7
[M+Na]+	190.06501	138.3
[M-H]-	166.06851	130.7
[M+NH4]+	185.10961	144.7
[M+K]+	206.03895	140.6
[M+H-H2O]+	150.07305	120.1
[M+HCOO]-	212.07399	149.3
[M+CH3COO]-	226.08964	180.0
[M+Na-2H]-	188.05046	135.7
[M]+	167.07524	138.5
[M]-	167.07634	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.