CID 47003214

3-(bromomethyl)-6-fluoro-1-methyl-1,2-dihydroquinoxalin-2-one

Structural Information

Molecular Formula
C10H8BrFN2O
SMILES
CN1C2=C(C=C(C=C2)F)N=C(C1=O)CBr
InChI
InChI=1S/C10H8BrFN2O/c1-14-9-3-2-6(12)4-7(9)13-8(5-11)10(14)15/h2-4H,5H2,1H3
InChIKey
KATIFUJYXJCQTN-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-6-fluoro-1-methylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.9804 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98768 146.7
[M+Na]+ 292.96962 161.7
[M-H]- 268.97312 151.0
[M+NH4]+ 288.01422 166.1
[M+K]+ 308.94356 149.6
[M+H-H2O]+ 252.97766 145.2
[M+HCOO]- 314.97860 165.2
[M+CH3COO]- 328.99425 195.3
[M+Na-2H]- 290.95507 155.0
[M]+ 269.97985 166.5
[M]- 269.98095 166.5
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.