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

364
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 127.1
[M+Na]+ 236.88590 137.4
[M-H]- 212.88940 123.0
[M+NH4]+ 231.93050 146.7
[M+K]+ 252.85984 132.7
[M+H-H2O]+ 196.89394 123.7
[M+HCOO]- 258.89488 130.5
[M+CH3COO]- 272.91053 183.6
[M+Na-2H]- 234.87135 132.3
[M]+ 213.89613 125.5
[M]- 213.89723 125.5
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