CID 66233

1,1,3-trichlorotrifluoroacetone

Structural Information

Molecular Formula
C3Cl3F3O
SMILES
C(=O)(C(F)(F)Cl)C(F)(Cl)Cl
InChI
InChI=1S/C3Cl3F3O/c4-2(5,7)1(10)3(6,8)9
InChIKey
QCVAFEQJWDOJLG-UHFFFAOYSA-N
Compound name
1,1,3-trichloro-1,3,3-trifluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

213.89668 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.90396 132.5
[M+Na]+ 236.88590 140.7
[M+NH4]+ 231.93050 138.0
[M+K]+ 252.85984 137.1
[M-H]- 212.88940 126.5
[M+Na-2H]- 234.87135 135.1
[M]+ 213.89613 132.4
[M]- 213.89723 132.4
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

patents stripe