CID 2063978

355421-74-8

Structural Information

Molecular Formula
C22H11BrCl3NO2
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OC4=C(C=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C22H11BrCl3NO2/c23-13-3-7-19-16(9-13)17(11-20(27-19)12-1-4-14(24)5-2-12)22(28)29-21-8-6-15(25)10-18(21)26/h1-11H
InChIKey
YKDMKQWHHNACMK-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.90387 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.91115 198.3
[M+Na]+ 527.89309 212.6
[M-H]- 503.89659 208.0
[M+NH4]+ 522.93769 210.6
[M+K]+ 543.86703 198.0
[M+H-H2O]+ 487.90113 196.4
[M+HCOO]- 549.90207 202.3
[M+CH3COO]- 563.91772 209.3
[M+Na-2H]- 525.87854 201.0
[M]+ 504.90332 222.1
[M]- 504.90442 222.1
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.