CID 10750432

124043-72-7

Structural Information

Molecular Formula
C8H7NO3S
SMILES
C1=CC=C2C(=C1)C=C(O2)S(=O)(=O)N
InChI
InChI=1S/C8H7NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)
InChIKey
PBECZJTWMSIKFE-UHFFFAOYSA-N
Compound name
1-benzofuran-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

340
Patents

197.01466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.021936 136.1
[M+Na]+ 220.003878 147.7
[M-H]- 196.007384 142.3
[M+NH4]+ 215.048483 157.4
[M+K]+ 235.977818 145.7
[M+H-H2O]+ 180.011920 131.7
[M+HCOO]- 242.012861 157.1
[M+CH3COO]- 256.028511 179.5
[M+Na-2H]- 217.989326 144.0
[M]+ 197.01411142 140.7
[M]- 197.01520858 140.7
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