CID 24623

2,2,3-trichloropropanal

Structural Information

Molecular Formula
C3H3Cl3O
SMILES
C(C(C=O)(Cl)Cl)Cl
InChI
InChI=1S/C3H3Cl3O/c4-1-3(5,6)2-7/h2H,1H2
InChIKey
VMVQOWJGWBIGEU-UHFFFAOYSA-N
Compound name
2,2,3-trichloropropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

159.92494 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.93222 126.4
[M+Na]+ 182.91416 139.1
[M+NH4]+ 177.95876 135.1
[M+K]+ 198.88810 132.5
[M-H]- 158.91766 125.3
[M+Na-2H]- 180.89961 131.6
[M]+ 159.92439 128.7
[M]- 159.92549 128.7
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