CID 83670830

2-bromo-4h,5h,6h,7h-[1,3]thiazolo[4,5-c]pyridin-7-one hydrochloride

Structural Information

Molecular Formula
C6H5BrN2OS
SMILES
C1C2=C(C(=O)CN1)SC(=N2)Br
InChI
InChI=1S/C6H5BrN2OS/c7-6-9-3-1-8-2-4(10)5(3)11-6/h8H,1-2H2
InChIKey
ZJMRIJAVPXYWDK-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.9306 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.93788 132.0
[M+Na]+ 254.91982 145.9
[M-H]- 230.92332 136.2
[M+NH4]+ 249.96442 154.4
[M+K]+ 270.89376 134.2
[M+H-H2O]+ 214.92786 133.3
[M+HCOO]- 276.92880 145.3
[M+CH3COO]- 290.94445 147.3
[M+Na-2H]- 252.90527 137.4
[M]+ 231.93005 149.8
[M]- 231.93115 149.8
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

No patent data available for this compound.