CID 3022176

3-quinolinecarbonyl chloride, 4-chloro-2-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C17H11Cl2NO2
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C(=O)Cl)Cl
InChI
InChI=1S/C17H11Cl2NO2/c1-22-11-8-6-10(7-9-11)16-14(17(19)21)15(18)12-4-2-3-5-13(12)20-16/h2-9H,1H3
InChIKey
RYUZBLWANPRWHY-UHFFFAOYSA-N
Compound name
4-chloro-2-(4-methoxyphenyl)quinoline-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0167 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02398 171.1
[M+Na]+ 354.00592 189.8
[M+NH4]+ 349.05052 180.6
[M+K]+ 369.97986 179.9
[M-H]- 330.00942 176.2
[M+Na-2H]- 351.99137 180.8
[M]+ 331.01615 176.2
[M]- 331.01725 176.2
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.