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

19
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

literature stripe

Patent stripe

patents stripe