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 153.2
[M+Na]+ 273.06345 160.7
[M-H]- 249.06695 159.6
[M+NH4]+ 268.10805 168.7
[M+K]+ 289.03739 152.0
[M+H-H2O]+ 233.07149 148.9
[M+HCOO]- 295.07243 176.6
[M+CH3COO]- 309.08808 189.3
[M+Na-2H]- 271.04890 163.5
[M]+ 250.07368 151.3
[M]- 250.07478 151.3
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