CID 22475901

5,8-dibromo-2,3-diphenylquinoxaline

Structural Information

Molecular Formula
C20H12Br2N2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3N=C2C4=CC=CC=C4)Br)Br
InChI
InChI=1S/C20H12Br2N2/c21-15-11-12-16(22)20-19(15)23-17(13-7-3-1-4-8-13)18(24-20)14-9-5-2-6-10-14/h1-12H
InChIKey
LELMSURPXIAXOW-UHFFFAOYSA-N
Compound name
5,8-dibromo-2,3-diphenylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

437.9367 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.94398 174.9
[M+Na]+ 460.92592 185.1
[M-H]- 436.92942 184.8
[M+NH4]+ 455.97052 187.9
[M+K]+ 476.89986 169.7
[M+H-H2O]+ 420.93396 181.6
[M+HCOO]- 482.93490 188.4
[M+CH3COO]- 496.95055 186.7
[M+Na-2H]- 458.91137 182.1
[M]+ 437.93615 208.4
[M]- 437.93725 208.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe