CID 11831

2-nitrofluorene

Structural Information

Molecular Formula
C13H9NO2
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey
XFOHWECQTFIEIX-UHFFFAOYSA-N
Compound name
2-nitro-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

171
References

2850
Patents

211.06332 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07060 142.7
[M+Na]+ 234.05254 151.2
[M-H]- 210.05604 148.6
[M+NH4]+ 229.09714 164.5
[M+K]+ 250.02648 143.3
[M+H-H2O]+ 194.06058 141.4
[M+HCOO]- 256.06152 167.4
[M+CH3COO]- 270.07717 182.3
[M+Na-2H]- 232.03799 152.0
[M]+ 211.06277 141.9
[M]- 211.06387 141.9
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