CID 4374060

7-chloro-3-phenylquinoline

Structural Information

Molecular Formula
C15H10ClN
SMILES
C1=CC=C(C=C1)C2=CN=C3C=C(C=CC3=C2)Cl
InChI
InChI=1S/C15H10ClN/c16-14-7-6-12-8-13(10-17-15(12)9-14)11-4-2-1-3-5-11/h1-10H
InChIKey
PYQGKYQEIABZKT-UHFFFAOYSA-N
Compound name
7-chloro-3-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

239.05017 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05745 150.3
[M+Na]+ 262.03939 160.7
[M-H]- 238.04289 156.5
[M+NH4]+ 257.08399 168.4
[M+K]+ 278.01333 153.9
[M+H-H2O]+ 222.04743 142.5
[M+HCOO]- 284.04837 168.2
[M+CH3COO]- 298.06402 163.4
[M+Na-2H]- 260.02484 159.1
[M]+ 239.04962 151.9
[M]- 239.05072 151.9
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

patents stripe