CID 117634

8-nitro-4-phenylquinoline

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C(C=C1)C2=C3C=CC=C(C3=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O2/c18-17(19)14-8-4-7-13-12(9-10-16-15(13)14)11-5-2-1-3-6-11/h1-10H
InChIKey
NKDNDDSXVZUMQC-UHFFFAOYSA-N
Compound name
8-nitro-4-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

250.07423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.081506 153.2
[M+Na]+ 273.063448 160.7
[M-H]- 249.066954 159.6
[M+NH4]+ 268.108053 168.7
[M+K]+ 289.037388 152.0
[M+H-H2O]+ 233.071490 148.9
[M+HCOO]- 295.072431 176.6
[M+CH3COO]- 309.088081 189.3
[M+Na-2H]- 271.048896 163.5
[M]+ 250.07368142 151.3
[M]- 250.07477858 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