CID 132343941

3-bromo-2-methylthieno[2,3-c]pyridin-7(6h)-one

Structural Information

Molecular Formula
C8H6BrNOS
SMILES
CC1=C(C2=C(S1)C(=O)NC=C2)Br
InChI
InChI=1S/C8H6BrNOS/c1-4-6(9)5-2-3-10-8(11)7(5)12-4/h2-3H,1H3,(H,10,11)
InChIKey
ZRUCXEYJJBQCAH-UHFFFAOYSA-N
Compound name
3-bromo-2-methyl-6H-thieno[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.93535 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.94263 133.2
[M+Na]+ 265.92457 149.8
[M-H]- 241.92807 139.8
[M+NH4]+ 260.96917 157.0
[M+K]+ 281.89851 137.2
[M+H-H2O]+ 225.93261 134.9
[M+HCOO]- 287.93355 150.8
[M+CH3COO]- 301.94920 150.1
[M+Na-2H]- 263.91002 139.7
[M]+ 242.93480 155.4
[M]- 242.93590 155.4
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.