CID 97345

7-nitro-9-oxo-4-fluorenecarboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

28
Patents

269.0324 Da
Monoisotopic Mass

2.3
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