CID 3155063

82068-09-5

Structural Information

Molecular Formula
C6H7NO4S2
SMILES
C1=CSC(=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C6H7NO4S2/c8-5(9)4-7-13(10,11)6-2-1-3-12-6/h1-3,7H,4H2,(H,8,9)
InChIKey
UFLYUBNAUREKFD-UHFFFAOYSA-N
Compound name
2-(thiophen-2-ylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

24
Patents

220.98164 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.98892 145.6
[M+Na]+ 243.97086 153.3
[M-H]- 219.97436 147.8
[M+NH4]+ 239.01546 164.7
[M+K]+ 259.94480 149.7
[M+H-H2O]+ 203.97890 140.3
[M+HCOO]- 265.97984 158.8
[M+CH3COO]- 279.99549 180.2
[M+Na-2H]- 241.95631 147.5
[M]+ 220.98109 147.8
[M]- 220.98219 147.8
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.