CID 62939384

3-(2-bromophenoxy)-1-methyl-1,2-dihydropyrazin-2-one

Structural Information

Molecular Formula
C11H9BrN2O2
SMILES
CN1C=CN=C(C1=O)OC2=CC=CC=C2Br
InChI
InChI=1S/C11H9BrN2O2/c1-14-7-6-13-10(11(14)15)16-9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKey
IRLHQLUIHQTMTF-UHFFFAOYSA-N
Compound name
3-(2-bromophenoxy)-1-methylpyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.98474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.992016 148.0
[M+Na]+ 302.973958 161.5
[M-H]- 278.977464 155.4
[M+NH4]+ 298.018563 165.4
[M+K]+ 318.947898 150.2
[M+H-H2O]+ 262.982000 146.4
[M+HCOO]- 324.982941 168.9
[M+CH3COO]- 338.998591 194.8
[M+Na-2H]- 300.959406 156.7
[M]+ 279.98419142 168.9
[M]- 279.98528858 168.9
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.