CID 44754709

5-(methylsulfonamido)benzo[b]thiophene-2-carboxylic acid

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 156.1
[M+Na]+ 293.98652 166.2
[M-H]- 269.99002 160.0
[M+NH4]+ 289.03112 175.1
[M+K]+ 309.96046 161.4
[M+H-H2O]+ 253.99456 151.6
[M+HCOO]- 315.99550 169.7
[M+CH3COO]- 330.01115 191.7
[M+Na-2H]- 291.97197 159.9
[M]+ 270.99675 161.4
[M]- 270.99785 161.4
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