CID 84049272

1078150-14-7

Structural Information

Molecular Formula
C8H8BrNOS
SMILES
CN1CCC2=C(C1=O)C=C(S2)Br
InChI
InChI=1S/C8H8BrNOS/c1-10-3-2-6-5(8(10)11)4-7(9)12-6/h4H,2-3H2,1H3
InChIKey
VEUPRRDTYMAYCO-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.951 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95828 137.5
[M+Na]+ 267.94022 151.7
[M-H]- 243.94372 144.3
[M+NH4]+ 262.98482 161.5
[M+K]+ 283.91416 140.5
[M+H-H2O]+ 227.94826 139.0
[M+HCOO]- 289.94920 152.5
[M+CH3COO]- 303.96485 153.5
[M+Na-2H]- 265.92567 141.7
[M]+ 244.95045 157.4
[M]- 244.95155 157.4
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

patents stripe