CID 97047874

1821827-53-5

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
C[C@@H]1C(=O)NC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C9H9BrN2O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13)/t5-/m1/s1
InChIKey
KIVJGGNEHZDPNV-RXMQYKEDSA-N
Compound name
(3R)-7-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98982 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99710 143.7
[M+Na]+ 262.97904 155.5
[M-H]- 238.98254 145.8
[M+NH4]+ 258.02364 162.5
[M+K]+ 278.95298 142.6
[M+H-H2O]+ 222.98708 143.6
[M+HCOO]- 284.98802 158.0
[M+CH3COO]- 299.00367 157.0
[M+Na-2H]- 260.96449 151.0
[M]+ 239.98927 157.8
[M]- 239.99037 157.8
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.