CID 56763841

7-bromothieno[2,3-b]pyrazine

Structural Information

Molecular Formula
C6H3BrN2S
SMILES
C1=CN=C2C(=N1)C(=CS2)Br
InChI
InChI=1S/C6H3BrN2S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H
InChIKey
LKUNJISTXIJLSP-UHFFFAOYSA-N
Compound name
7-bromothieno[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

213.92003 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.927306 123.9
[M+Na]+ 236.909248 140.4
[M-H]- 212.912754 130.3
[M+NH4]+ 231.953853 147.9
[M+K]+ 252.883188 129.3
[M+H-H2O]+ 196.917290 125.1
[M+HCOO]- 258.918231 142.4
[M+CH3COO]- 272.933881 141.4
[M+Na-2H]- 234.894696 133.1
[M]+ 213.91948142 146.4
[M]- 213.92057858 146.4
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

patents stripe