CID 2782585

99338-16-6

Structural Information

Molecular Formula
C15H7F13O2
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H7F13O2/c16-10(17,9(30)6-8(29)7-4-2-1-3-5-7)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H,6H2
InChIKey
JPSBONQIRUMUCY-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-phenylnonane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

466.02383 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.03111 189.7
[M+Na]+ 489.01305 197.8
[M-H]- 465.01655 178.2
[M+NH4]+ 484.05765 196.8
[M+K]+ 504.98699 193.3
[M+H-H2O]+ 449.02109 174.6
[M+HCOO]- 511.02203 188.1
[M+CH3COO]- 525.03768 231.4
[M+Na-2H]- 486.99850 191.0
[M]+ 466.02328 170.8
[M]- 466.02438 170.8
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