CID 71302467

2-bromo-1-(2-phenylquinolin-4-yl)ethan-1-one hydrobromide

Structural Information

Molecular Formula
C17H12BrNO
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)CBr
InChI
InChI=1S/C17H12BrNO/c18-11-17(20)14-10-16(12-6-2-1-3-7-12)19-15-9-5-4-8-13(14)15/h1-10H,11H2
InChIKey
WNRFEPTYQNPOSC-UHFFFAOYSA-N
Compound name
2-bromo-1-(2-phenylquinolin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.01022 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.01750 167.1
[M+Na]+ 347.99944 177.9
[M-H]- 324.00294 175.5
[M+NH4]+ 343.04404 184.3
[M+K]+ 363.97338 165.5
[M+H-H2O]+ 308.00748 165.3
[M+HCOO]- 370.00842 185.8
[M+CH3COO]- 384.02407 180.3
[M+Na-2H]- 345.98489 174.6
[M]+ 325.00967 185.7
[M]- 325.01077 185.7
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

patents stripe