CID 132372792

17047-42-6

Structural Information

Molecular Formula
C10H11NO4S
SMILES
CC1(C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O1)C
InChI
InChI=1S/C10H11NO4S/c1-10(2)8-4-3-6(16(11,13)14)5-7(8)9(12)15-10/h3-5H,1-2H3,(H2,11,13,14)
InChIKey
WWVWDNTXVICHEX-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-oxo-2-benzofuran-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 147.2
[M+Na]+ 264.03010 158.3
[M-H]- 240.03360 153.1
[M+NH4]+ 259.07470 168.9
[M+K]+ 280.00404 156.5
[M+H-H2O]+ 224.03814 143.9
[M+HCOO]- 286.03908 164.8
[M+CH3COO]- 300.05473 189.5
[M+Na-2H]- 262.01555 153.2
[M]+ 241.04033 151.7
[M]- 241.04143 151.7
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

No patent data available for this compound.