CID 372051

8-[(4-nitrophenyl)methoxy]quinoline

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2
InChI
InChI=1S/C16H12N2O3/c19-18(20)14-8-6-12(7-9-14)11-21-15-5-1-3-13-4-2-10-17-16(13)15/h1-10H,11H2
InChIKey
JGDBDRRKKSGUJT-UHFFFAOYSA-N
Compound name
8-[(4-nitrophenyl)methoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

280.08478 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 161.4
[M+Na]+ 303.07400 168.1
[M-H]- 279.07750 167.6
[M+NH4]+ 298.11860 175.5
[M+K]+ 319.04794 159.9
[M+H-H2O]+ 263.08204 156.5
[M+HCOO]- 325.08298 184.5
[M+CH3COO]- 339.09863 194.4
[M+Na-2H]- 301.05945 171.2
[M]+ 280.08423 161.1
[M]- 280.08533 161.1
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.