CID 25003

2,3-dichloro-2-methylpropanal

Structural Information

Molecular Formula
C4H6Cl2O
SMILES
CC(CCl)(C=O)Cl
InChI
InChI=1S/C4H6Cl2O/c1-4(6,2-5)3-7/h3H,2H2,1H3
InChIKey
HWRRRIKZPDRSFG-UHFFFAOYSA-N
Compound name
2,3-dichloro-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

139.97957 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.986846 122.5
[M+Na]+ 162.968788 132.4
[M-H]- 138.972294 122.8
[M+NH4]+ 158.013393 145.6
[M+K]+ 178.942728 129.1
[M+H-H2O]+ 122.976830 120.8
[M+HCOO]- 184.977771 136.2
[M+CH3COO]- 198.993421 171.5
[M+Na-2H]- 160.954236 130.2
[M]+ 139.97902142 125.8
[M]- 139.98011858 125.8
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