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

3
Patents

199.03032 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 137.7
[M+Na]+ 222.01954 147.2
[M-H]- 198.02304 143.1
[M+NH4]+ 217.06414 158.7
[M+K]+ 237.99348 145.6
[M+H-H2O]+ 182.02758 133.4
[M+HCOO]- 244.02852 155.8
[M+CH3COO]- 258.04417 180.1
[M+Na-2H]- 220.00499 143.9
[M]+ 199.02977 139.6
[M]- 199.03087 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