CID 491338

3-(bromomethyl)-5,6-dichloro-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C9H5BrCl2N2O
SMILES
C1=CC(=C(C2=C1NC(=O)C(=N2)CBr)Cl)Cl
InChI
InChI=1S/C9H5BrCl2N2O/c10-3-6-9(15)14-5-2-1-4(11)7(12)8(5)13-6/h1-2H,3H2,(H,14,15)
InChIKey
UPIQOCVDFHXXLP-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5,6-dichloro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

305.89624 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.90352 146.6
[M+Na]+ 328.88546 162.9
[M-H]- 304.88896 150.1
[M+NH4]+ 323.93006 165.3
[M+K]+ 344.85940 147.9
[M+H-H2O]+ 288.89350 147.5
[M+HCOO]- 350.89444 155.8
[M+CH3COO]- 364.91009 161.1
[M+Na-2H]- 326.87091 154.9
[M]+ 305.89569 167.9
[M]- 305.89679 167.9
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.