CID 286254

3-(bromomethyl)-1,2-dihydroquinoxalin-2-one

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)CBr
InChI
InChI=1S/C9H7BrN2O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4H,5H2,(H,12,13)
InChIKey
SOTAKCFOTFCVSS-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

237.97418 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 139.1
[M+Na]+ 260.96340 152.5
[M-H]- 236.96690 142.9
[M+NH4]+ 256.00800 158.6
[M+K]+ 276.93734 140.1
[M+H-H2O]+ 220.97144 138.8
[M+HCOO]- 282.97238 157.7
[M+CH3COO]- 296.98803 153.9
[M+Na-2H]- 258.94885 149.7
[M]+ 237.97363 157.3
[M]- 237.97473 157.3
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