CID 164603

2,2-dichloro-2-fluoroethanol

Structural Information

Molecular Formula

C₂H₃Cl₂FO

SMILES

C(C(F)(Cl)Cl)O

InChI

InChI=1S/C2H3Cl2FO/c3-2(4,5)1-6/h6H,1H2

InChIKey

LJTFLXOWPJPVCJ-UHFFFAOYSA-N

Compound name

2,2-dichloro-2-fluoroethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3875
Patents: 131.9545 Da
Monoisotopic Mass: 1.1
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]+	132.961776	116.3
[M+Na]+	154.943718	126.3
[M-H]-	130.947224	114.1
[M+NH4]+	149.988323	139.0
[M+K]+	170.917658	122.7
[M+H-H2O]+	114.951760	114.3
[M+HCOO]-	176.952701	128.0
[M+CH3COO]-	190.968351	166.5
[M+Na-2H]-	152.929166	124.0
[M]+	131.95395142	116.5
[M]-	131.95504858	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe