CID 6576

Dichloroacetaldehyde

Structural Information

Molecular Formula
C2H2Cl2O
SMILES
C(=O)C(Cl)Cl
InChI
InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H
InChIKey
NWQWQKUXRJYXFH-UHFFFAOYSA-N
Compound name
2,2-dichloroacetaldehyde
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

23
References

5671
Patents

111.94827 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.95555 112.8
[M+Na]+ 134.93749 125.7
[M+NH4]+ 129.98209 122.2
[M+K]+ 150.91143 119.6
[M-H]- 110.94099 112.6
[M+Na-2H]- 132.92294 118.4
[M]+ 111.94772 115.0
[M]- 111.94882 115.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe