CID 250636

9-(3-nitrobenzylidene)fluorene

Structural Information

Molecular Formula
C20H13NO2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H13NO2/c22-21(23)15-7-5-6-14(12-15)13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-13H
InChIKey
FJBNLISWGMVYAA-UHFFFAOYSA-N
Compound name
9-[(3-nitrophenyl)methylidene]fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09464 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10192 169.4
[M+Na]+ 322.08386 176.8
[M-H]- 298.08736 178.1
[M+NH4]+ 317.12846 187.0
[M+K]+ 338.05780 166.3
[M+H-H2O]+ 282.09190 165.9
[M+HCOO]- 344.09284 192.9
[M+CH3COO]- 358.10849 199.0
[M+Na-2H]- 320.06931 176.2
[M]+ 299.09409 167.8
[M]- 299.09519 167.8
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

No patent data available for this compound.