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

18
Patents

331.9949 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.00218 171.3
[M+Na]+ 354.98412 186.4
[M-H]- 330.98762 178.9
[M+NH4]+ 350.02872 192.3
[M+K]+ 370.95806 173.2
[M+H-H2O]+ 314.99216 169.7
[M+HCOO]- 376.99310 189.0
[M+CH3COO]- 391.00875 185.3
[M+Na-2H]- 352.96957 181.5
[M]+ 331.99435 193.4
[M]- 331.99545 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