CID 1907631

2,4-dichlorophenyl 2-(4-chlorophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C22H12Cl3NO2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H12Cl3NO2/c23-14-7-5-13(6-8-14)20-12-17(16-3-1-2-4-19(16)26-20)22(27)28-21-10-9-15(24)11-18(21)25/h1-12H
InChIKey
OMGKSDLBILTKBS-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.99335 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.00063 193.2
[M+Na]+ 449.98257 204.2
[M-H]- 425.98607 200.5
[M+NH4]+ 445.02717 204.1
[M+K]+ 465.95651 196.0
[M+H-H2O]+ 409.99061 184.0
[M+HCOO]- 471.99155 198.8
[M+CH3COO]- 486.00720 202.6
[M+Na-2H]- 447.96802 195.3
[M]+ 426.99280 199.3
[M]- 426.99390 199.3
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.