CID 80195897

7-bromo-1h,2h,3h,3ah,4h,5h-pyrrolo[1,2-a]quinoxaline

Structural Information

Molecular Formula
C11H13BrN2
SMILES
C1CC2CNC3=C(N2C1)C=CC(=C3)Br
InChI
InChI=1S/C11H13BrN2/c12-8-3-4-11-10(6-8)13-7-9-2-1-5-14(9)11/h3-4,6,9,13H,1-2,5,7H2
InChIKey
BIFDYVJBZHGOEA-UHFFFAOYSA-N
Compound name
7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02621 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03349 152.1
[M+Na]+ 275.01543 162.9
[M-H]- 251.01893 155.8
[M+NH4]+ 270.06003 173.5
[M+K]+ 290.98937 150.7
[M+H-H2O]+ 235.02347 151.8
[M+HCOO]- 297.02441 166.2
[M+CH3COO]- 311.04006 165.2
[M+Na-2H]- 273.00088 158.3
[M]+ 252.02566 165.7
[M]- 252.02676 165.7
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

No patent data available for this compound.