CID 2779817

2,2,3,3,4,4,5,5,5-nonafluoropentyl 2,5,7-trinitro-9-oxo-9h-fluorene-4-carboxylate

Structural Information

Molecular Formula
C19H6F9N3O9
SMILES
C1=C(C=C(C2=C1C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C19H6F9N3O9/c20-16(21,17(22,23)18(24,25)19(26,27)28)5-40-15(33)10-3-6(29(34)35)1-8-12(10)13-9(14(8)32)2-7(30(36)37)4-11(13)31(38)39/h1-4H,5H2
InChIKey
WWFIKWYKKMDAQB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoropentyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

590.99603 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.00331 182.2
[M+Na]+ 613.98525 184.1
[M+NH4]+ 609.02985 185.7
[M+K]+ 629.95919 187.1
[M-H]- 589.98875 182.2
[M+Na-2H]- 611.97070 180.9
[M]+ 590.99548 183.5
[M]- 590.99658 183.5
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.