CID 59023141

957345-85-6

Structural Information

Molecular Formula
C6H4BrNOS
SMILES
C1C2=C(C(=O)N1)SC(=C2)Br
InChI
InChI=1S/C6H4BrNOS/c7-4-1-3-2-8-6(9)5(3)10-4/h1H,2H2,(H,8,9)
InChIKey
DYOODSONLYUOFR-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

216.9197 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.92698 133.6
[M+Na]+ 239.90892 148.7
[M-H]- 215.91242 139.7
[M+NH4]+ 234.95352 159.6
[M+K]+ 255.88286 137.5
[M+H-H2O]+ 199.91696 135.8
[M+HCOO]- 261.91790 150.0
[M+CH3COO]- 275.93355 150.1
[M+Na-2H]- 237.89437 137.3
[M]+ 216.91915 152.9
[M]- 216.92025 152.9
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