CID 16228086

2-(5-sulfamoylthiophen-2-yl)acetic acid

Structural Information

Molecular Formula
C6H7NO4S2
SMILES
C1=C(SC(=C1)S(=O)(=O)N)CC(=O)O
InChI
InChI=1S/C6H7NO4S2/c7-13(10,11)6-2-1-4(12-6)3-5(8)9/h1-2H,3H2,(H,8,9)(H2,7,10,11)
InChIKey
MYYWHMBAXPNBRV-UHFFFAOYSA-N
Compound name
2-(5-sulfamoylthiophen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.98164 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.988916 145.1
[M+Na]+ 243.970858 153.5
[M-H]- 219.974364 147.1
[M+NH4]+ 239.015463 164.2
[M+K]+ 259.944798 149.5
[M+H-H2O]+ 203.978900 140.1
[M+HCOO]- 265.979841 157.6
[M+CH3COO]- 279.995491 180.8
[M+Na-2H]- 241.956306 145.5
[M]+ 220.98109142 146.7
[M]- 220.98218858 146.7
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.