CID 43146630

3-(thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C9H11NO4S3
SMILES
C1CSCCN1S(=O)(=O)C2=C(SC=C2)C(=O)O
InChI
InChI=1S/C9H11NO4S3/c11-9(12)8-7(1-4-16-8)17(13,14)10-2-5-15-6-3-10/h1,4H,2-3,5-6H2,(H,11,12)
InChIKey
HCQDQISFSRNYGL-UHFFFAOYSA-N
Compound name
3-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.98502 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.99230 163.9
[M+Na]+ 315.97424 170.6
[M-H]- 291.97774 166.4
[M+NH4]+ 311.01884 178.9
[M+K]+ 331.94818 165.1
[M+H-H2O]+ 275.98228 158.9
[M+HCOO]- 337.98322 166.4
[M+CH3COO]- 351.99887 190.5
[M+Na-2H]- 313.95969 162.9
[M]+ 292.98447 162.4
[M]- 292.98557 162.4
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.