CID 49762881

1,3-dihydro-2-benzofuran-5-sulfonamide

Structural Information

Molecular Formula
C8H9NO3S
SMILES
C1C2=C(CO1)C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C8H9NO3S/c9-13(10,11)8-2-1-6-4-12-5-7(6)3-8/h1-3H,4-5H2,(H2,9,10,11)
InChIKey
NCAGOQKFTHTONQ-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.03032 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.037596 137.7
[M+Na]+ 222.019538 147.2
[M-H]- 198.023044 143.1
[M+NH4]+ 217.064143 158.7
[M+K]+ 237.993478 145.6
[M+H-H2O]+ 182.027580 133.4
[M+HCOO]- 244.028521 155.8
[M+CH3COO]- 258.044171 180.1
[M+Na-2H]- 220.004986 143.9
[M]+ 199.02977142 139.6
[M]- 199.03086858 139.6
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