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 167.1
[M+Na]+ 338.01098 178.6
[M-H]- 314.01448 173.0
[M+NH4]+ 333.05558 183.0
[M+K]+ 353.98492 171.0
[M+H-H2O]+ 298.01902 159.8
[M+HCOO]- 360.01996 178.5
[M+CH3COO]- 374.03561 179.0
[M+Na-2H]- 335.99643 171.4
[M]+ 315.02121 171.7
[M]- 315.02231 171.7
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.