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]+ 215.94771 129.5
[M+Na]+ 237.92965 143.6
[M-H]- 213.93315 136.3
[M+NH4]+ 232.97425 154.5
[M+K]+ 253.90359 132.7
[M+H-H2O]+ 197.93769 131.1
[M+HCOO]- 259.93863 146.1
[M+CH3COO]- 273.95428 146.1
[M+Na-2H]- 235.91510 136.3
[M]+ 214.93988 149.2
[M]- 214.94098 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.