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]+ 186.02194 135.0
[M+Na]+ 208.00388 146.9
[M-H]- 184.00738 138.2
[M+NH4]+ 203.04848 160.4
[M+K]+ 223.97782 143.8
[M+H-H2O]+ 168.01192 131.7
[M+HCOO]- 230.01286 153.5
[M+CH3COO]- 244.02851 172.9
[M+Na-2H]- 205.98933 138.1
[M]+ 185.01411 137.9
[M]- 185.01521 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.