CID 55034

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

Structural Information

Molecular Formula
C9H8Cl2OS
SMILES
C1CSC(O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H8Cl2OS/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKey
PNBZBZXTLCAFAT-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.96729 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97457 146.1
[M+Na]+ 256.95651 160.6
[M+NH4]+ 252.00111 157.0
[M+K]+ 272.93045 152.2
[M-H]- 232.96001 151.9
[M+Na-2H]- 254.94196 153.0
[M]+ 233.96674 151.0
[M]- 233.96784 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.