CID 24707978

7-bromo-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1C(=O)NC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChIKey
ZITQQDFTRWZLSH-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.97418 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 139.1
[M+Na]+ 248.96340 150.5
[M-H]- 224.96690 141.0
[M+NH4]+ 244.00800 158.1
[M+K]+ 264.93734 137.8
[M+H-H2O]+ 208.97144 139.0
[M+HCOO]- 270.97238 153.7
[M+CH3COO]- 284.98803 152.5
[M+Na-2H]- 246.94885 147.6
[M]+ 225.97363 152.5
[M]- 225.97473 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe