CID 44754709

928709-53-9

Structural Information

Molecular Formula
C10H9NO4S2
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O
InChI
InChI=1S/C10H9NO4S2/c1-17(14,15)11-7-2-3-8-6(4-7)5-9(16-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey
SOSJQRVNCNTMLR-UHFFFAOYSA-N
Compound name
5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

270.9973 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.00458 157.1
[M+Na]+ 293.98652 166.4
[M+NH4]+ 289.03112 164.1
[M+K]+ 309.96046 160.6
[M-H]- 269.99002 157.2
[M+Na-2H]- 291.97197 160.4
[M]+ 270.99675 159.2
[M]- 270.99785 159.2
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

patents stripe