CID 43286786

925006-39-9

Structural Information

Molecular Formula
C11H9NO3S
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CSC(=O)N3
InChI
InChI=1S/C11H9NO3S/c13-11-12-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9/h1-2,5-6H,3-4H2,(H,12,13)
InChIKey
FKDJRMBJHXFWHJ-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.03032 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03760 146.5
[M+Na]+ 258.01954 160.1
[M+NH4]+ 253.06414 155.5
[M+K]+ 273.99348 154.2
[M-H]- 234.02304 152.4
[M+Na-2H]- 256.00499 152.0
[M]+ 235.02977 150.6
[M]- 235.03087 150.6
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.