CID 12603765

75824-01-0

Structural Information

Molecular Formula
C9H5F11O2
SMILES
CC(=O)CC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F11O2/c1-3(21)2-4(22)5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20/h2H2,1H3
InChIKey
YKIGIKLABXBCDX-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,9,9,9-undecafluorononane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

354.01138 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.01866 161.8
[M+Na]+ 377.00060 170.5
[M-H]- 353.00410 149.5
[M+NH4]+ 372.04520 157.7
[M+K]+ 392.97454 168.1
[M+H-H2O]+ 337.00864 149.9
[M+HCOO]- 399.00958 167.0
[M+CH3COO]- 413.02523 213.2
[M+Na-2H]- 374.98605 163.6
[M]+ 354.01083 146.1
[M]- 354.01193 146.1
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