CID 114118

63717-32-8

Structural Information

Molecular Formula
C20H11ClINO3
SMILES
C1=CC=C2C(=C1)C=C(C(=C2Cl)O)C(=O)OC3=C4C(=C(C=C3)I)C=CC=N4
InChI
InChI=1S/C20H11ClINO3/c21-17-12-5-2-1-4-11(12)10-14(19(17)24)20(25)26-16-8-7-15(22)13-6-3-9-23-18(13)16/h1-10,24H
InChIKey
QBBMUIJKGPQWFL-UHFFFAOYSA-N
Compound name
(5-iodoquinolin-8-yl) 4-chloro-3-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.94724 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.95452 183.5
[M+Na]+ 497.93646 187.8
[M-H]- 473.93996 182.4
[M+NH4]+ 492.98106 192.0
[M+K]+ 513.91040 186.8
[M+H-H2O]+ 457.94450 171.1
[M+HCOO]- 519.94544 193.8
[M+CH3COO]- 533.96109 190.3
[M+Na-2H]- 495.92191 178.6
[M]+ 474.94669 186.1
[M]- 474.94779 186.1
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.