CID 51341932

2-bromo-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one

Structural Information

Molecular Formula
C7H6BrNOS
SMILES
C1CNC(=O)C2=C1C=C(S2)Br
InChI
InChI=1S/C7H6BrNOS/c8-5-3-4-1-2-9-7(10)6(4)11-5/h3H,1-2H2,(H,9,10)
InChIKey
WCHRPSHIMRQFRS-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

230.93535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94263 133.3
[M+Na]+ 253.92457 135.4
[M+NH4]+ 248.96917 139.1
[M+K]+ 269.89851 135.6
[M-H]- 229.92807 133.2
[M+Na-2H]- 251.91002 134.8
[M]+ 230.93480 132.6
[M]- 230.93590 132.6
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