CID 145866928

2228736-98-7

Structural Information

Molecular Formula
C8H9F5O
SMILES
C1CC(CCC1C(=O)C(F)(F)F)(F)F
InChI
InChI=1S/C8H9F5O/c9-7(10)3-1-5(2-4-7)6(14)8(11,12)13/h5H,1-4H2
InChIKey
SVMSBWXNPLYYSE-UHFFFAOYSA-N
Compound name
1-(4,4-difluorocyclohexyl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05736 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06464 140.1
[M+Na]+ 239.04658 147.5
[M-H]- 215.05008 136.9
[M+NH4]+ 234.09118 160.3
[M+K]+ 255.02052 145.4
[M+H-H2O]+ 199.05462 131.7
[M+HCOO]- 261.05556 153.1
[M+CH3COO]- 275.07121 185.9
[M+Na-2H]- 237.03203 142.8
[M]+ 216.05681 129.3
[M]- 216.05791 129.3
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.