CID 97033427

Methyl 8-bromoquinoxaline-6-carboxylate

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
COC(=O)C1=CC2=NC=CN=C2C(=C1)Br
InChI
InChI=1S/C10H7BrN2O2/c1-15-10(14)6-4-7(11)9-8(5-6)12-2-3-13-9/h2-5H,1H3
InChIKey
FPHVJQGDEZIMJR-UHFFFAOYSA-N
Compound name
methyl 8-bromoquinoxaline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9691 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97638 145.7
[M+Na]+ 288.95832 158.6
[M-H]- 264.96182 150.7
[M+NH4]+ 284.00292 164.6
[M+K]+ 304.93226 148.0
[M+H-H2O]+ 248.96636 144.8
[M+HCOO]- 310.96730 164.5
[M+CH3COO]- 324.98295 192.6
[M+Na-2H]- 286.94377 155.1
[M]+ 265.96855 166.5
[M]- 265.96965 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.