CID 1907672

355433-73-7

Structural Information

Molecular Formula
C22H13BrClNO2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H13BrClNO2/c23-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)25-21)22(26)27-17-11-9-16(24)10-12-17/h1-13H
InChIKey
VLIHRKXNRHFMPE-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.9818 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.98908 193.6
[M+Na]+ 459.97102 205.5
[M-H]- 435.97452 204.8
[M+NH4]+ 455.01562 207.1
[M+K]+ 475.94496 191.7
[M+H-H2O]+ 419.97906 190.7
[M+HCOO]- 481.98000 207.3
[M+CH3COO]- 495.99565 205.5
[M+Na-2H]- 457.95647 198.7
[M]+ 436.98125 215.3
[M]- 436.98235 215.3
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.