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

literature stripe

Patent stripe

patents stripe