CID 69796

758-42-9

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

173
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 127.4
[M+Na]+ 236.88590 137.9
[M-H]- 212.88940 123.4
[M+NH4]+ 231.93050 147.2
[M+K]+ 252.85984 133.2
[M+H-H2O]+ 196.89394 124.1
[M+HCOO]- 258.89488 130.8
[M+CH3COO]- 272.91053 182.3
[M+Na-2H]- 234.87135 132.6
[M]+ 213.89613 125.6
[M]- 213.89723 125.6
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