CID 110466

8-nitro-6-phenylquinoline

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O2/c18-17(19)14-10-13(11-5-2-1-3-6-11)9-12-7-4-8-16-15(12)14/h1-10H
InChIKey
BCLHTQDIOYYNKP-UHFFFAOYSA-N
Compound name
8-nitro-6-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.07423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08151 152.6
[M+Na]+ 273.06345 170.3
[M+NH4]+ 268.10805 162.4
[M+K]+ 289.03739 163.9
[M-H]- 249.06695 159.6
[M+Na-2H]- 271.04890 163.5
[M]+ 250.07368 157.3
[M]- 250.07478 157.3
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