CID 90449136

(3,3-difluorotetrahydrofuran-2-yl)methanol

Structural Information

Molecular Formula

C₅H₈F₂O₂

SMILES

C1COC(C1(F)F)CO

InChI

InChI=1S/C5H8F2O2/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2

InChIKey

MRMKYMSEYBHVKO-UHFFFAOYSA-N

Compound name

(3,3-difluorooxolan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 138.04924 Da
Monoisotopic Mass: 0.3
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	121.6
[M+Na]+	161.038458	130.0
[M-H]-	137.041964	122.1
[M+NH4]+	156.083063	145.1
[M+K]+	177.012398	130.0
[M+H-H2O]+	121.046500	116.5
[M+HCOO]-	183.047441	141.2
[M+CH3COO]-	197.063091	167.5
[M+Na-2H]-	159.023906	127.7
[M]+	138.04869142	117.8
[M]-	138.04978858	117.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe