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

19
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.