CID 3022172

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

Structural Information

Molecular Formula
C16H8BrCl2NO
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2C(=O)Cl)Cl
InChI
InChI=1S/C16H8BrCl2NO/c17-10-6-7-12-11(8-10)14(18)13(16(19)21)15(20-12)9-4-2-1-3-5-9/h1-8H
InChIKey
YQJQNESMONJMTR-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-2-phenylquinoline-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.91663 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.923906 170.3
[M+Na]+ 401.905848 184.9
[M-H]- 377.909354 178.7
[M+NH4]+ 396.950453 187.5
[M+K]+ 417.879788 170.1
[M+H-H2O]+ 361.913890 170.0
[M+HCOO]- 423.914831 180.2
[M+CH3COO]- 437.930481 183.8
[M+Na-2H]- 399.891296 176.3
[M]+ 378.91608142 192.7
[M]- 378.91717858 192.7
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.