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]+ 158.027016 128.9
[M+Na]+ 180.008958 140.4
[M-H]- 156.012464 132.0
[M+NH4]+ 175.053563 155.3
[M+K]+ 195.982898 137.7
[M+H-H2O]+ 140.017000 125.4
[M+HCOO]- 202.017941 147.4
[M+CH3COO]- 216.033591 143.8
[M+Na-2H]- 177.994406 132.8
[M]+ 157.01919142 130.3
[M]- 157.02028858 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.