CID 3022169

3-quinolinecarbonyl chloride, 4-chloro-6-methyl-2-phenyl-

Structural Information

Molecular Formula
C17H11Cl2NO
SMILES
CC1=CC2=C(C=C1)N=C(C(=C2Cl)C(=O)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H11Cl2NO/c1-10-7-8-13-12(9-10)15(18)14(17(19)21)16(20-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
PSJQVYNQVBGOSN-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-phenylquinoline-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.02176 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.02904 168.4
[M+Na]+ 338.01098 187.6
[M+NH4]+ 333.05558 178.4
[M+K]+ 353.98492 177.1
[M-H]- 314.01448 174.0
[M+Na-2H]- 335.99643 178.5
[M]+ 315.02121 173.7
[M]- 315.02231 173.7
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.