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]+ 379.92391 170.3
[M+Na]+ 401.90585 184.9
[M-H]- 377.90935 178.7
[M+NH4]+ 396.95045 187.5
[M+K]+ 417.87979 170.1
[M+H-H2O]+ 361.91389 170.0
[M+HCOO]- 423.91483 180.2
[M+CH3COO]- 437.93048 183.8
[M+Na-2H]- 399.89130 176.3
[M]+ 378.91608 192.7
[M]- 378.91718 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.