CID 356553

69481-44-3

Structural Information

Molecular Formula
C11H5F7O2
SMILES
C1=CC=C(C=C1)C(=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F7O2/c12-9(13,10(14,15)11(16,17)18)8(20)7(19)6-4-2-1-3-5-6/h1-5H
InChIKey
LJUFPWCKMGTCMC-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoro-1-phenylpentane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.0178 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02508 154.9
[M+Na]+ 325.00702 163.2
[M-H]- 301.01052 149.7
[M+NH4]+ 320.05162 169.2
[M+K]+ 340.98096 160.0
[M+H-H2O]+ 285.01506 144.0
[M+HCOO]- 347.01600 165.3
[M+CH3COO]- 361.03165 201.6
[M+Na-2H]- 322.99247 158.1
[M]+ 302.01725 145.2
[M]- 302.01835 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.