CID 131200065

1516423-16-7

Structural Information

Molecular Formula
C7H7NO3S
SMILES
C1CS(=O)(=O)C2=CNC(=C21)C=O
InChI
InChI=1S/C7H7NO3S/c9-4-6-5-1-2-12(10,11)7(5)3-8-6/h3-4,8H,1-2H2
InChIKey
AKARZZVZMYWKSL-UHFFFAOYSA-N
Compound name
1,1-dioxo-3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.01466 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.021936 135.0
[M+Na]+ 208.003878 146.9
[M-H]- 184.007384 138.2
[M+NH4]+ 203.048483 160.4
[M+K]+ 223.977818 143.8
[M+H-H2O]+ 168.011920 131.7
[M+HCOO]- 230.012861 153.5
[M+CH3COO]- 244.028511 172.9
[M+Na-2H]- 205.989326 138.1
[M]+ 185.01411142 137.9
[M]- 185.01520858 137.9
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

No patent data available for this compound.