CID 179635

5-nitro-9-oxo-9h-fluorene-4-carboxylic acid

Structural Information

Molecular Formula
C14H7NO5
SMILES
C1=CC2=C(C(=C1)C(=O)O)C3=C(C2=O)C=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C14H7NO5/c16-13-7-3-1-5-9(14(17)18)11(7)12-8(13)4-2-6-10(12)15(19)20/h1-6H,(H,17,18)
InChIKey
OASRFABFOARUCA-UHFFFAOYSA-N
Compound name
5-nitro-9-oxofluorene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

269.0324 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03968 153.9
[M+Na]+ 292.02162 162.7
[M-H]- 268.02512 159.0
[M+NH4]+ 287.06622 172.5
[M+K]+ 307.99556 155.1
[M+H-H2O]+ 252.02966 152.9
[M+HCOO]- 314.03060 176.4
[M+CH3COO]- 328.04625 190.1
[M+Na-2H]- 290.00707 160.6
[M]+ 269.03185 154.5
[M]- 269.03295 154.5
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

patents stripe