CID 23236455

5,5,6,6,7,7,7-heptafluoro-4-methylheptan-3-one

Structural Information

Molecular Formula
C8H9F7O
SMILES
CCC(=O)C(C)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F7O/c1-3-5(16)4(2)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3
InChIKey
QQGCRHKFDHSORV-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,7-heptafluoro-4-methylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.05417 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06145 145.7
[M+Na]+ 277.04339 153.6
[M-H]- 253.04689 137.4
[M+NH4]+ 272.08799 162.3
[M+K]+ 293.01733 152.1
[M+H-H2O]+ 237.05143 136.3
[M+HCOO]- 299.05237 155.2
[M+CH3COO]- 313.06802 196.6
[M+Na-2H]- 275.02884 147.7
[M]+ 254.05362 136.1
[M]- 254.05472 136.1
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

patents stripe