CID 13192150

2-(5-chlorothiophene-2-sulfonamido)acetic acid

Structural Information

Molecular Formula
C6H6ClNO4S2
SMILES
C1=C(SC(=C1)Cl)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C6H6ClNO4S2/c7-4-1-2-6(13-4)14(11,12)8-3-5(9)10/h1-2,8H,3H2,(H,9,10)
InChIKey
YXYBBYUNQLAKFT-UHFFFAOYSA-N
Compound name
2-[(5-chlorothiophen-2-yl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.94267 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94995 150.5
[M+Na]+ 277.93189 159.5
[M-H]- 253.93539 153.4
[M+NH4]+ 272.97649 169.5
[M+K]+ 293.90583 154.3
[M+H-H2O]+ 237.93993 146.8
[M+HCOO]- 299.94087 159.4
[M+CH3COO]- 313.95652 185.1
[M+Na-2H]- 275.91734 151.7
[M]+ 254.94212 154.9
[M]- 254.94322 154.9
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.