CID 11064076

143338-44-7

Structural Information

Molecular Formula
C11H12O3S
SMILES
C1CSC(O1)COC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12O3S/c12-11(9-4-2-1-3-5-9)14-8-10-13-6-7-15-10/h1-5,10H,6-8H2
InChIKey
PCXPPEVXIKTQGP-UHFFFAOYSA-N
Compound name
1,3-oxathiolan-2-ylmethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

224.05072 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05800 148.4
[M+Na]+ 247.03994 154.8
[M-H]- 223.04344 155.6
[M+NH4]+ 242.08454 167.3
[M+K]+ 263.01388 154.0
[M+H-H2O]+ 207.04798 142.5
[M+HCOO]- 269.04892 165.9
[M+CH3COO]- 283.06457 182.8
[M+Na-2H]- 245.02539 150.3
[M]+ 224.05017 150.3
[M]- 224.05127 150.3
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.