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]+ 214.053236 142.3
[M+Na]+ 236.035178 151.3
[M-H]- 212.038684 147.5
[M+NH4]+ 231.079783 162.8
[M+K]+ 252.009118 149.5
[M+H-H2O]+ 196.043220 137.8
[M+HCOO]- 258.044161 160.1
[M+CH3COO]- 272.059811 183.1
[M+Na-2H]- 234.020626 148.0
[M]+ 213.04541142 144.5
[M]- 213.04650858 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.