CID 207006

Brn 1554132

Structural Information

Molecular Formula
C20H11ClN2O4
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H11ClN2O4/c21-16-9-8-15(13-5-1-2-6-14(13)16)20(24)27-19-17(23(25)26)10-7-12-4-3-11-22-18(12)19/h1-11H
InChIKey
LCKXHNFIWNDGRY-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 4-chloronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.04074 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04802 184.1
[M+Na]+ 401.02996 192.7
[M-H]- 377.03346 191.3
[M+NH4]+ 396.07456 195.8
[M+K]+ 417.00390 182.7
[M+H-H2O]+ 361.03800 178.8
[M+HCOO]- 423.03894 201.2
[M+CH3COO]- 437.05459 211.3
[M+Na-2H]- 399.01541 192.7
[M]+ 378.04019 188.3
[M]- 378.04129 188.3
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

No patent data available for this compound.