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]+ 242.048156 147.2
[M+Na]+ 264.030098 158.3
[M-H]- 240.033604 153.1
[M+NH4]+ 259.074703 168.9
[M+K]+ 280.004038 156.5
[M+H-H2O]+ 224.038140 143.9
[M+HCOO]- 286.039081 164.8
[M+CH3COO]- 300.054731 189.5
[M+Na-2H]- 262.015546 153.2
[M]+ 241.04033142 151.7
[M]- 241.04142858 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.