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

60
Patents

213.04596 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 140.4
[M+Na]+ 236.03518 148.3
[M-H]- 212.03868 145.1
[M+NH4]+ 231.07978 158.8
[M+K]+ 252.00912 146.4
[M+H-H2O]+ 196.04322 135.0
[M+HCOO]- 258.04416 155.9
[M+CH3COO]- 272.05981 183.6
[M+Na-2H]- 234.02063 147.7
[M]+ 213.04541 140.3
[M]- 213.04651 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