CID 85275

2,2-dichloro-1,1-ethanediol

Structural Information

Molecular Formula

C₂H₄Cl₂O₂

SMILES

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

InChI

InChI=1S/C2H4Cl2O2/c3-1(4)2(5)6/h1-2,5-6H

InChIKey

RUUBIFVWPACNLY-UHFFFAOYSA-N

Compound name

2,2-dichloroethane-1,1-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 129.95883 Da
Monoisotopic Mass: 0.4
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]+	130.96611	116.9
[M+Na]+	152.94805	125.6
[M-H]-	128.95155	114.6
[M+NH4]+	147.99265	138.8
[M+K]+	168.92199	122.5
[M+H-H2O]+	112.95609	115.7
[M+HCOO]-	174.95703	128.2
[M+CH3COO]-	188.97268	164.5
[M+Na-2H]-	150.93350	121.7
[M]+	129.95828	117.1
[M]-	129.95938	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe