CID 43286786

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,3-thiazol-2-one

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]+ 236.037596 145.6
[M+Na]+ 258.019538 155.5
[M-H]- 234.023044 152.6
[M+NH4]+ 253.064143 162.4
[M+K]+ 273.993478 153.6
[M+H-H2O]+ 218.027580 140.1
[M+HCOO]- 280.028521 160.6
[M+CH3COO]- 294.044171 158.9
[M+Na-2H]- 256.004986 150.5
[M]+ 235.02977142 147.3
[M]- 235.03086858 147.3
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

No patent data available for this compound.