CID 56972289

2-bromo-4h,5h,6h,7h-thieno[3,2-c]pyridin-4-one

Structural Information

Molecular Formula
C7H6BrNOS
SMILES
C1CNC(=O)C2=C1SC(=C2)Br
InChI
InChI=1S/C7H6BrNOS/c8-6-3-4-5(11-6)1-2-9-7(4)10/h3H,1-2H2,(H,9,10)
InChIKey
LFAFLPSPMUUPIX-UHFFFAOYSA-N
Compound name
2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

230.93535 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94263 134.0
[M+Na]+ 253.92457 147.4
[M-H]- 229.92807 139.3
[M+NH4]+ 248.96917 157.6
[M+K]+ 269.89851 135.5
[M+H-H2O]+ 213.93261 135.7
[M+HCOO]- 275.93355 148.0
[M+CH3COO]- 289.94920 149.4
[M+Na-2H]- 251.91002 138.9
[M]+ 230.93480 151.6
[M]- 230.93590 151.6
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