CID 13424180

87254-53-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₃S

SMILES

CC1(CC2=C(O1)C(=CC=C2)S(=O)(=O)N)C

InChI

InChI=1S/C10H13NO3S/c1-10(2)6-7-4-3-5-8(9(7)14-10)15(11,12)13/h3-5H,6H2,1-2H3,(H2,11,12,13)

InChIKey

VYFFICQOFMWLII-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3H-1-benzofuran-7-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 227.06161 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.068886	145.6
[M+Na]+	250.050828	155.9
[M-H]-	226.054334	151.1
[M+NH4]+	245.095433	167.8
[M+K]+	266.024768	154.1
[M+H-H2O]+	210.058870	142.0
[M+HCOO]-	272.059811	162.9
[M+CH3COO]-	286.075461	186.9
[M+Na-2H]-	248.036276	151.8
[M]+	227.06106142	149.0
[M]-	227.06215858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe