CID 63840602

3,4-dihydro-2h-1-benzopyran-6-sulfonamide

Structural Information

Molecular Formula
C9H11NO3S
SMILES
C1CC2=C(C=CC(=C2)S(=O)(=O)N)OC1
InChI
InChI=1S/C9H11NO3S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,10,11,12)
InChIKey
AZLIFDXUTNJPRI-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromene-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

213.04596 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.053236 140.4
[M+Na]+ 236.035178 148.3
[M-H]- 212.038684 145.1
[M+NH4]+ 231.079783 158.8
[M+K]+ 252.009118 146.4
[M+H-H2O]+ 196.043220 135.0
[M+HCOO]- 258.044161 155.9
[M+CH3COO]- 272.059811 183.6
[M+Na-2H]- 234.020626 147.7
[M]+ 213.04541142 140.3
[M]- 213.04650858 140.3
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

patents stripe