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]+ 236.03760 145.6
[M+Na]+ 258.01954 155.5
[M-H]- 234.02304 152.6
[M+NH4]+ 253.06414 162.4
[M+K]+ 273.99348 153.6
[M+H-H2O]+ 218.02758 140.1
[M+HCOO]- 280.02852 160.6
[M+CH3COO]- 294.04417 158.9
[M+Na-2H]- 256.00499 150.5
[M]+ 235.02977 147.3
[M]- 235.03087 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.