CID 56643075

5-chloro-8-[(3-chlorobenzyl)oxy]quinoline

Structural Information

Molecular Formula
C16H11Cl2NO
SMILES
C1=CC(=CC(=C1)Cl)COC2=C3C(=C(C=C2)Cl)C=CC=N3
InChI
InChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2
InChIKey
BIHPUIBBWFPTCY-UHFFFAOYSA-N
Compound name
5-chloro-8-[(3-chlorophenyl)methoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

303.02176 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.02904 164.1
[M+Na]+ 326.01098 175.1
[M-H]- 302.01448 169.6
[M+NH4]+ 321.05558 180.2
[M+K]+ 341.98492 167.7
[M+H-H2O]+ 286.01902 156.4
[M+HCOO]- 348.01996 176.6
[M+CH3COO]- 362.03561 176.0
[M+Na-2H]- 323.99643 170.7
[M]+ 303.02121 169.1
[M]- 303.02231 169.1
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.