CID 206987

8-quinolinol, 7-nitro-, benzoate (ester)

Structural Information

Molecular Formula
C16H10N2O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H10N2O4/c19-16(12-5-2-1-3-6-12)22-15-13(18(20)21)9-8-11-7-4-10-17-14(11)15/h1-10H
InChIKey
IPSCMQIWSNSBST-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.06406 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07134 163.3
[M+Na]+ 317.05328 169.9
[M-H]- 293.05678 169.7
[M+NH4]+ 312.09788 176.6
[M+K]+ 333.02722 162.3
[M+H-H2O]+ 277.06132 158.5
[M+HCOO]- 339.06226 185.8
[M+CH3COO]- 353.07791 195.6
[M+Na-2H]- 315.03873 172.3
[M]+ 294.06351 163.0
[M]- 294.06461 163.0
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

patents stripe