CID 46863471

2h,3h,5h-1lambda6-thieno[2,3-c]pyrrole-1,1-dione

Structural Information

Molecular Formula
C6H7NO2S
SMILES
C1CS(=O)(=O)C2=CNC=C21
InChI
InChI=1S/C6H7NO2S/c8-10(9)2-1-5-3-7-4-6(5)10/h3-4,7H,1-2H2
InChIKey
YYCWRYXILPVVRC-UHFFFAOYSA-N
Compound name
3,5-dihydro-2H-thieno[2,3-c]pyrrole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.01974 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 128.9
[M+Na]+ 180.00896 140.4
[M-H]- 156.01246 132.0
[M+NH4]+ 175.05356 155.3
[M+K]+ 195.98290 137.7
[M+H-H2O]+ 140.01700 125.4
[M+HCOO]- 202.01794 147.4
[M+CH3COO]- 216.03359 143.8
[M+Na-2H]- 177.99441 132.8
[M]+ 157.01919 130.3
[M]- 157.02029 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.