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

184
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 124.9
[M+Na]+ 182.91416 134.9
[M-H]- 158.91766 124.1
[M+NH4]+ 177.95876 146.8
[M+K]+ 198.88810 130.6
[M+H-H2O]+ 142.92220 123.8
[M+HCOO]- 204.92314 133.3
[M+CH3COO]- 218.93879 174.5
[M+Na-2H]- 180.89961 131.7
[M]+ 159.92439 127.4
[M]- 159.92549 127.4
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

No patent data available for this compound.