CID 166000110

2-(4-sulfamoylthiophen-3-yl)acetic acid

Structural Information

Molecular Formula
C6H7NO4S2
SMILES
C1=C(C(=CS1)S(=O)(=O)N)CC(=O)O
InChI
InChI=1S/C6H7NO4S2/c7-13(10,11)5-3-12-2-4(5)1-6(8)9/h2-3H,1H2,(H,8,9)(H2,7,10,11)
InChIKey
JPRKENLTWXQTFU-UHFFFAOYSA-N
Compound name
2-(4-sulfamoylthiophen-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.98164 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.98892 146.7
[M+Na]+ 243.97086 153.3
[M+NH4]+ 239.01546 152.9
[M+K]+ 259.94480 149.1
[M-H]- 219.97436 145.4
[M+Na-2H]- 241.95631 148.0
[M]+ 220.98109 147.7
[M]- 220.98219 147.7
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.