CID 69780

746-53-2

Structural Information

Molecular Formula
C13H4N4O9
SMILES
C1=C(C=C(C2=C1C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H4N4O9/c18-13-7-1-5(14(19)20)3-9(16(23)24)11(7)12-8(13)2-6(15(21)22)4-10(12)17(25)26/h1-4H
InChIKey
JOERSAVCLPYNIZ-UHFFFAOYSA-N
Compound name
2,4,5,7-tetranitrofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

5794
Patents

359.99783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.00511 194.6
[M+Na]+ 382.98705 203.9
[M-H]- 358.99055 200.5
[M+NH4]+ 378.03165 203.7
[M+K]+ 398.96099 197.8
[M+H-H2O]+ 342.99509 191.7
[M+HCOO]- 404.99603 217.0
[M+CH3COO]- 419.01168 197.9
[M+Na-2H]- 380.97250 194.7
[M]+ 359.99728 183.6
[M]- 359.99838 183.6
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

patents stripe