CID 130058401

Methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate

Structural Information

Molecular Formula
C8H5BrN2O2S
SMILES
COC(=O)C1=C(C2=NC=CN=C2S1)Br
InChI
InChI=1S/C8H5BrN2O2S/c1-13-8(12)6-4(9)5-7(14-6)11-3-2-10-5/h2-3H,1H3
InChIKey
PQCXNAJKICLPPA-UHFFFAOYSA-N
Compound name
methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9255 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.93278 138.7
[M+Na]+ 294.91472 154.6
[M-H]- 270.91822 145.1
[M+NH4]+ 289.95932 160.4
[M+K]+ 310.88866 143.7
[M+H-H2O]+ 254.92276 139.4
[M+HCOO]- 316.92370 156.0
[M+CH3COO]- 330.93935 155.2
[M+Na-2H]- 292.90017 145.4
[M]+ 271.92495 163.5
[M]- 271.92605 163.5
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.