CID 58412406

2-bromothieno[2,3-b]pyridine

Structural Information

Molecular Formula
C7H4BrNS
SMILES
C1=CC2=C(N=C1)SC(=C2)Br
InChI
InChI=1S/C7H4BrNS/c8-6-4-5-2-1-3-9-7(5)10-6/h1-4H
InChIKey
UAMUSRIEEHYHBP-UHFFFAOYSA-N
Compound name
2-bromothieno[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.92477 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.932046 126.0
[M+Na]+ 235.913988 142.1
[M-H]- 211.917494 133.6
[M+NH4]+ 230.958593 151.3
[M+K]+ 251.887928 130.8
[M+H-H2O]+ 195.922030 127.7
[M+HCOO]- 257.922971 145.3
[M+CH3COO]- 271.938621 143.7
[M+Na-2H]- 233.899436 134.7
[M]+ 212.92422142 148.4
[M]- 212.92531858 148.4
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