PubChemLite - 2,2,3,3,4,4,5,5,5-nonafluoropentyl 2,5,7-trinitro-9-oxo-9h-fluorene-4-carboxylate (C19H6F9N3O9)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	592.00331	211.4
[M+Na]+	613.98525	219.8
[M-H]-	589.98875	224.8
[M+NH4]+	609.02985	226.3
[M+K]+	629.95919	221.4
[M+H-H2O]+	573.99329	188.8
[M+HCOO]-	635.99423	233.3
[M+CH3COO]-	650.00988	234.1
[M+Na-2H]-	611.97070	206.4
[M]+	590.99548	198.9
[M]-	590.99658	198.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

592.00331

211.4

[M+Na]+

613.98525

219.8

[M-H]-

589.98875

224.8

[M+NH4]+

609.02985

226.3

[M+K]+

629.95919

221.4

[M+H-H2O]+

573.99329

188.8

[M+HCOO]-

635.99423

233.3

[M+CH3COO]-

650.00988

234.1

[M+Na-2H]-

611.97070

206.4

[M]+

590.99548

198.9

[M]-

590.99658

198.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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