CID 211137

2-(4-methoxyphenyl)-1,3-oxathiolane

Structural Information

Molecular Formula
C10H12O2S
SMILES
COC1=CC=C(C=C1)C2OCCS2
InChI
InChI=1S/C10H12O2S/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-5,10H,6-7H2,1H3
InChIKey
NBNWRXAIBYMACK-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

196.0558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.063076 139.9
[M+Na]+ 219.045018 147.8
[M-H]- 195.048524 147.7
[M+NH4]+ 214.089623 160.5
[M+K]+ 235.018958 146.9
[M+H-H2O]+ 179.053060 134.5
[M+HCOO]- 241.054001 158.4
[M+CH3COO]- 255.069651 179.5
[M+Na-2H]- 217.030466 142.7
[M]+ 196.05525142 141.8
[M]- 196.05634858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe