CID 5273858

3-(4-bromophenyl)benzo[g]quinoxaline

Structural Information

Molecular Formula
C18H11BrN2
SMILES
C1=CC=C2C=C3C(=CC2=C1)N=CC(=N3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H11BrN2/c19-15-7-5-12(6-8-15)18-11-20-16-9-13-3-1-2-4-14(13)10-17(16)21-18/h1-11H
InChIKey
GUAJGUDVSJMBCZ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)benzo[g]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.01056 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.01784 169.8
[M+Na]+ 356.99978 183.1
[M-H]- 333.00328 178.3
[M+NH4]+ 352.04438 186.5
[M+K]+ 372.97372 169.6
[M+H-H2O]+ 317.00782 167.2
[M+HCOO]- 379.00876 188.4
[M+CH3COO]- 393.02441 183.2
[M+Na-2H]- 354.98523 180.8
[M]+ 334.01001 189.3
[M]- 334.01111 189.3
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