CID 15421748

228580-15-2

Structural Information

Molecular Formula

C₅H₈F₂O₂

SMILES

C1C(C1(F)F)(CO)CO

InChI

InChI=1S/C5H8F2O2/c6-5(7)1-4(5,2-8)3-9/h8-9H,1-3H2

InChIKey

UGYHPZDRTHTYAG-UHFFFAOYSA-N

Compound name

[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 138.04924 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]+	139.05652	130.7
[M+Na]+	161.03846	140.0
[M+NH4]+	156.08306	140.0
[M+K]+	177.01240	134.3
[M-H]-	137.04196	134.5
[M+Na-2H]-	159.02391	138.5
[M]+	138.04869	134.1
[M]-	138.04979	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe