CID 252777

7-nitro-4-fluorenecarboxylic acid

Structural Information

Molecular Formula
C14H9NO4
SMILES
C1C2=C(C3=C1C=C(C=C3)[N+](=O)[O-])C(=CC=C2)C(=O)O
InChI
InChI=1S/C14H9NO4/c16-14(17)12-3-1-2-8-6-9-7-10(15(18)19)4-5-11(9)13(8)12/h1-5,7H,6H2,(H,16,17)
InChIKey
CDCCXRKAWJRWJX-UHFFFAOYSA-N
Compound name
7-nitro-9H-fluorene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

255.05316 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06044 152.3
[M+Na]+ 278.04238 160.2
[M-H]- 254.04588 157.0
[M+NH4]+ 273.08698 171.4
[M+K]+ 294.01632 152.4
[M+H-H2O]+ 238.05042 151.2
[M+HCOO]- 300.05136 174.5
[M+CH3COO]- 314.06701 187.6
[M+Na-2H]- 276.02783 159.3
[M]+ 255.05261 151.8
[M]- 255.05371 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe