CID 13811275

3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-one

Structural Information

Molecular Formula
C11H7F7O
SMILES
C1=CC=C(C=C1)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F7O/c12-9(13,10(14,15)11(16,17)18)8(19)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
JAJJPAQUJSPZLI-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

288.0385 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.045776 154.4
[M+Na]+ 311.027718 162.7
[M-H]- 287.031224 149.1
[M+NH4]+ 306.072323 169.4
[M+K]+ 327.001658 159.0
[M+H-H2O]+ 271.035760 143.3
[M+HCOO]- 333.036701 165.3
[M+CH3COO]- 347.052351 199.9
[M+Na-2H]- 309.013166 158.3
[M]+ 288.03795142 144.5
[M]- 288.03904858 144.5
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.