CID 787246

3-bromo-acenaphtho[1,2-b]quinoxaline

Structural Information

Molecular Formula
C18H9BrN2
SMILES
C1=CC=C2C(=C1)N=C3C4=C5C(=C(C=C4)Br)C=CC=C5C3=N2
InChI
InChI=1S/C18H9BrN2/c19-13-9-8-12-16-10(13)4-3-5-11(16)17-18(12)21-15-7-2-1-6-14(15)20-17/h1-9H
InChIKey
HWGCZFYFWKIEAK-UHFFFAOYSA-N
Compound name
3-bromoacenaphthyleno[1,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

331.9949 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.002176 171.3
[M+Na]+ 354.984118 186.4
[M-H]- 330.987624 178.9
[M+NH4]+ 350.028723 192.3
[M+K]+ 370.958058 173.2
[M+H-H2O]+ 314.992160 169.7
[M+HCOO]- 376.993101 189.0
[M+CH3COO]- 391.008751 185.3
[M+Na-2H]- 352.969566 181.5
[M]+ 331.99435142 193.4
[M]- 331.99544858 193.4
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