CID 4324619

2,6-dichloro-4-phenylquinoline

Structural Information

Molecular Formula
C15H9Cl2N
SMILES
C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2N/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKey
FSVNVFMEUXPATP-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

273.0112 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01848 156.5
[M+Na]+ 296.00042 168.1
[M-H]- 272.00392 162.0
[M+NH4]+ 291.04502 173.9
[M+K]+ 311.97436 160.2
[M+H-H2O]+ 256.00846 149.2
[M+HCOO]- 318.00940 169.1
[M+CH3COO]- 332.02505 169.0
[M+Na-2H]- 293.98587 163.6
[M]+ 273.01065 159.7
[M]- 273.01175 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe