CID 13601087

6-bromo-4-methyl-4h,7h-thieno[3,2-b]pyridin-7-one

Structural Information

Molecular Formula
C8H6BrNOS
SMILES
CN1C=C(C(=O)C2=C1C=CS2)Br
InChI
InChI=1S/C8H6BrNOS/c1-10-4-5(9)7(11)8-6(10)2-3-12-8/h2-4H,1H3
InChIKey
IOUPREDWGSYGLO-UHFFFAOYSA-N
Compound name
6-bromo-4-methylthieno[3,2-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.93535 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.942626 132.4
[M+Na]+ 265.924568 149.6
[M-H]- 241.928074 140.5
[M+NH4]+ 260.969173 157.0
[M+K]+ 281.898508 137.9
[M+H-H2O]+ 225.932610 134.1
[M+HCOO]- 287.933551 151.6
[M+CH3COO]- 301.949201 150.2
[M+Na-2H]- 263.910016 139.4
[M]+ 242.93480142 156.5
[M]- 242.93589858 156.5
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.