CID 1926128

355421-73-7

Structural Information

Molecular Formula
C22H12BrCl2NO2
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H12BrCl2NO2/c23-14-3-10-20-18(11-14)19(22(27)28-17-8-6-16(25)7-9-17)12-21(26-20)13-1-4-15(24)5-2-13/h1-12H
InChIKey
ISCMUPOUGZLWHG-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.94284 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.95012 196.5
[M+Na]+ 493.93206 209.9
[M-H]- 469.93556 207.3
[M+NH4]+ 488.97666 209.5
[M+K]+ 509.90600 195.3
[M+H-H2O]+ 453.94010 194.1
[M+HCOO]- 515.94104 205.5
[M+CH3COO]- 529.95669 208.1
[M+Na-2H]- 491.91751 200.5
[M]+ 470.94229 219.8
[M]- 470.94339 219.8
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.