CID 3022177

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

Structural Information

Molecular Formula
C16H8Cl3NO
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)Cl)Cl
InChI
InChI=1S/C16H8Cl3NO/c17-10-7-5-9(6-8-10)15-13(16(19)21)14(18)11-3-1-2-4-12(11)20-15/h1-8H
InChIKey
VJPULDBFTRDGHO-UHFFFAOYSA-N
Compound name
4-chloro-2-(4-chlorophenyl)quinoline-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.96713 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.97441 167.7
[M+Na]+ 357.95635 179.4
[M-H]- 333.95985 172.3
[M+NH4]+ 353.00095 182.7
[M+K]+ 373.93029 171.6
[M+H-H2O]+ 317.96439 161.1
[M+HCOO]- 379.96533 174.0
[M+CH3COO]- 393.98098 178.8
[M+Na-2H]- 355.94180 171.4
[M]+ 334.96658 172.3
[M]- 334.96768 172.3
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.