CID 13431587

2-(heptafluoropropyl)cyclohexan-1-one

Structural Information

Molecular Formula
C9H9F7O
SMILES
C1CCC(=O)C(C1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H9F7O/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5H,1-4H2
InChIKey
GIKZDAQXHSEHMI-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.05417 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06145 150.5
[M+Na]+ 289.04339 157.8
[M-H]- 265.04689 144.8
[M+NH4]+ 284.08799 166.6
[M+K]+ 305.01733 154.8
[M+H-H2O]+ 249.05143 140.3
[M+HCOO]- 311.05237 158.8
[M+CH3COO]- 325.06802 195.4
[M+Na-2H]- 287.02884 153.2
[M]+ 266.05362 136.6
[M]- 266.05472 136.6
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.