CID 82393726

3-bromo-5h,7h-thieno[3,4-b]pyridine

Structural Information

Molecular Formula
C7H6BrNS
SMILES
C1C2=C(CS1)N=CC(=C2)Br
InChI
InChI=1S/C7H6BrNS/c8-6-1-5-3-10-4-7(5)9-2-6/h1-2H,3-4H2
InChIKey
WIICNXLEOYDUMJ-UHFFFAOYSA-N
Compound name
3-bromo-5,7-dihydrothieno[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.94043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.947706 129.5
[M+Na]+ 237.929648 143.6
[M-H]- 213.933154 136.3
[M+NH4]+ 232.974253 154.5
[M+K]+ 253.903588 132.7
[M+H-H2O]+ 197.937690 131.1
[M+HCOO]- 259.938631 146.1
[M+CH3COO]- 273.954281 146.1
[M+Na-2H]- 235.915096 136.3
[M]+ 214.93988142 149.2
[M]- 214.94097858 149.2
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.