CID 491339

3-(bromomethyl)-5-chloro-6-methoxy-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C10H8BrClN2O2
SMILES
COC1=C(C2=C(C=C1)NC(=O)C(=N2)CBr)Cl
InChI
InChI=1S/C10H8BrClN2O2/c1-16-7-3-2-5-9(8(7)12)13-6(4-11)10(15)14-5/h2-3H,4H2,1H3,(H,14,15)
InChIKey
GRJQRLJOBDATTN-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-chloro-6-methoxy-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.94577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.95305 150.1
[M+Na]+ 324.93499 165.4
[M-H]- 300.93849 154.2
[M+NH4]+ 319.97959 168.5
[M+K]+ 340.90893 151.7
[M+H-H2O]+ 284.94303 150.2
[M+HCOO]- 346.94397 164.0
[M+CH3COO]- 360.95962 195.9
[M+Na-2H]- 322.92044 158.5
[M]+ 301.94522 172.4
[M]- 301.94632 172.4
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

No patent data available for this compound.