CID 112639857

(1,3-dihydro-2-benzofuran-5-yl)methanesulfonamide

Structural Information

Molecular Formula
C9H11NO3S
SMILES
C1C2=C(CO1)C=C(C=C2)CS(=O)(=O)N
InChI
InChI=1S/C9H11NO3S/c10-14(11,12)6-7-1-2-8-4-13-5-9(8)3-7/h1-3H,4-6H2,(H2,10,11,12)
InChIKey
BWANZGLYINPGAJ-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-5-ylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04596 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 142.3
[M+Na]+ 236.03518 151.3
[M-H]- 212.03868 147.5
[M+NH4]+ 231.07978 162.8
[M+K]+ 252.00912 149.5
[M+H-H2O]+ 196.04322 137.8
[M+HCOO]- 258.04416 160.1
[M+CH3COO]- 272.05981 183.1
[M+Na-2H]- 234.02063 148.0
[M]+ 213.04541 144.5
[M]- 213.04651 144.5
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.