CID 293552

101931-67-3

Structural Information

Molecular Formula
C6H5ClF6O
SMILES
CC(=O)CC(C(F)(F)F)(C(F)(F)F)Cl
InChI
InChI=1S/C6H5ClF6O/c1-3(14)2-4(7,5(8,9)10)6(11,12)13/h2H2,1H3
InChIKey
RHBJHTMRXIJSIX-UHFFFAOYSA-N
Compound name
4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)pentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99332 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.000596 137.7
[M+Na]+ 264.982538 147.5
[M-H]- 240.986044 131.1
[M+NH4]+ 260.027143 156.0
[M+K]+ 280.956478 144.1
[M+H-H2O]+ 224.990580 130.3
[M+HCOO]- 286.991521 145.7
[M+CH3COO]- 301.007171 189.9
[M+Na-2H]- 262.967986 142.3
[M]+ 241.99277142 131.5
[M]- 241.99386858 131.5
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

No patent data available for this compound.