CID 238426

37172-87-5

Structural Information

Molecular Formula
C10H9F7O2
SMILES
C1CCC(=O)C(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H9F7O2/c11-8(12,9(13,14)10(15,16)17)7(19)5-3-1-2-4-6(5)18/h5H,1-4H2
InChIKey
UIGUVAREBFMONS-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,4-heptafluorobutanoyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

294.04907 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05635 155.6
[M+Na]+ 317.03829 162.4
[M-H]- 293.04179 149.7
[M+NH4]+ 312.08289 170.3
[M+K]+ 333.01223 159.7
[M+H-H2O]+ 277.04633 145.3
[M+HCOO]- 339.04727 163.1
[M+CH3COO]- 353.06292 200.2
[M+Na-2H]- 315.02374 157.0
[M]+ 294.04852 142.2
[M]- 294.04962 142.2
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.