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

2
Patents

211.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 136.0
[M+Na]+ 234.984118 147.2
[M-H]- 210.987624 140.2
[M+NH4]+ 230.028723 156.8
[M+K]+ 250.958058 136.6
[M+H-H2O]+ 194.992160 135.5
[M+HCOO]- 256.993101 153.2
[M+CH3COO]- 271.008751 150.5
[M+Na-2H]- 232.969566 146.2
[M]+ 211.99435142 151.8
[M]- 211.99544858 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

patents stripe