CID 84048546

2-bromo-5,6,7,8-tetrahydroquinoxaline

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1CCC2=NC(=CN=C2C1)Br
InChI
InChI=1S/C8H9BrN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h5H,1-4H2
InChIKey
ASURHRXNXGSNOL-UHFFFAOYSA-N
Compound name
2-bromo-5,6,7,8-tetrahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 136.0
[M+Na]+ 234.98412 147.2
[M-H]- 210.98762 140.2
[M+NH4]+ 230.02872 156.8
[M+K]+ 250.95806 136.6
[M+H-H2O]+ 194.99216 135.5
[M+HCOO]- 256.99310 153.2
[M+CH3COO]- 271.00875 150.5
[M+Na-2H]- 232.96957 146.2
[M]+ 211.99435 151.8
[M]- 211.99545 151.8
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.