CID 207817

Quinoline, 1,2-dihydro-1-(p-nitrobenzoyl)-

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1C=CC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H12N2O3/c19-16(13-7-9-14(10-8-13)18(20)21)17-11-3-5-12-4-1-2-6-15(12)17/h1-10H,11H2
InChIKey
ORMSPPYYORXPLR-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-(2H-quinolin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 160.1
[M+Na]+ 303.07400 175.9
[M+NH4]+ 298.11860 168.7
[M+K]+ 319.04794 170.8
[M-H]- 279.07750 165.9
[M+Na-2H]- 301.05945 169.0
[M]+ 280.08423 164.0
[M]- 280.08533 164.0
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.