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

0
Patents

211.9949 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 137.7
[M+Na]+ 234.98412 148.1
[M-H]- 210.98762 139.3
[M+NH4]+ 230.02872 157.1
[M+K]+ 250.95806 135.5
[M+H-H2O]+ 194.99216 137.6
[M+HCOO]- 256.99310 152.0
[M+CH3COO]- 271.00875 150.8
[M+Na-2H]- 232.96957 146.9
[M]+ 211.99435 150.0
[M]- 211.99545 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

No patent data available for this compound.