CID 69796

1,1,1-trichlorotrifluoroacetone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

165
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 132.6
[M+Na]+ 236.88590 140.9
[M+NH4]+ 231.93050 138.1
[M+K]+ 252.85984 137.3
[M-H]- 212.88940 126.6
[M+Na-2H]- 234.87135 135.2
[M]+ 213.89613 132.5
[M]- 213.89723 132.5
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