CID 28188

1,1,1,3-tetrachloroacetone

Structural Information

Molecular Formula
C3H2Cl4O
SMILES
C(C(=O)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C3H2Cl4O/c4-1-2(8)3(5,6)7/h1H2
InChIKey
MSZQBKOLHPDFFD-UHFFFAOYSA-N
Compound name
1,1,1,3-tetrachloropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

193.88597 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.89325 131.9
[M+Na]+ 216.87519 141.1
[M-H]- 192.87869 129.8
[M+NH4]+ 211.91979 151.7
[M+K]+ 232.84913 136.7
[M+H-H2O]+ 176.88323 131.3
[M+HCOO]- 238.88417 133.9
[M+CH3COO]- 252.89982 181.3
[M+Na-2H]- 214.86064 136.1
[M]+ 193.88542 132.6
[M]- 193.88652 132.6
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.