CID 85275

2,2-dichloroethane-1,1-diol

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
3
Annotation Hits

0
References

29
Patents

129.95883 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.966106 116.9
[M+Na]+ 152.948048 125.6
[M-H]- 128.951554 114.6
[M+NH4]+ 147.992653 138.8
[M+K]+ 168.921988 122.5
[M+H-H2O]+ 112.956090 115.7
[M+HCOO]- 174.957031 128.2
[M+CH3COO]- 188.972681 164.5
[M+Na-2H]- 150.933496 121.7
[M]+ 129.95828142 117.1
[M]- 129.95937858 117.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe