CID 83835328

5-bromo-1,2,3,4-tetrahydroquinoxaline hydrochloride

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1CNC2=C(N1)C=CC=C2Br
InChI
InChI=1S/C8H9BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10-11H,4-5H2
InChIKey
FIKDZJTWPVLQDX-UHFFFAOYSA-N
Compound name
5-bromo-1,2,3,4-tetrahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.9949 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 137.7
[M+Na]+ 234.984118 148.1
[M-H]- 210.987624 139.3
[M+NH4]+ 230.028723 157.1
[M+K]+ 250.958058 135.5
[M+H-H2O]+ 194.992160 137.6
[M+HCOO]- 256.993101 152.0
[M+CH3COO]- 271.008751 150.8
[M+Na-2H]- 232.969566 146.9
[M]+ 211.99435142 150.0
[M]- 211.99544858 150.0
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