CID 13455428

2,3-dihydro-1,4-benzodioxine-5-sulfonamide

Structural Information

Molecular Formula
C8H9NO4S
SMILES
C1COC2=C(O1)C=CC=C2S(=O)(=O)N
InChI
InChI=1S/C8H9NO4S/c9-14(10,11)7-3-1-2-6-8(7)13-5-4-12-6/h1-3H,4-5H2,(H2,9,10,11)
InChIKey
ATSDFKWVCBPSRH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.02522 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03250 139.3
[M+Na]+ 238.01444 147.6
[M-H]- 214.01794 144.9
[M+NH4]+ 233.05904 156.3
[M+K]+ 253.98838 147.5
[M+H-H2O]+ 198.02248 133.9
[M+HCOO]- 260.02342 154.7
[M+CH3COO]- 274.03907 183.1
[M+Na-2H]- 235.99989 148.0
[M]+ 215.02467 140.8
[M]- 215.02577 140.8
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