CID 58266634

2-bromo-4h,5h,6h,7h-thieno[2,3-c]pyridine hydrobromide

Structural Information

Molecular Formula
C7H8BrNS
SMILES
C1CNCC2=C1C=C(S2)Br
InChI
InChI=1S/C7H8BrNS/c8-7-3-5-1-2-9-4-6(5)10-7/h3,9H,1-2,4H2
InChIKey
IVDAGVOKDYOWPT-UHFFFAOYSA-N
Compound name
2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

216.95609 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.963366 132.2
[M+Na]+ 239.945308 144.8
[M-H]- 215.948814 137.2
[M+NH4]+ 234.989913 156.3
[M+K]+ 255.919248 133.1
[M+H-H2O]+ 199.953350 133.9
[M+HCOO]- 261.954291 145.9
[M+CH3COO]- 275.969941 147.4
[M+Na-2H]- 237.930756 137.6
[M]+ 216.95554142 148.8
[M]- 216.95663858 148.8
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