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 146.6
[M+Na]+ 256.95651 156.7
[M-H]- 232.96001 154.0
[M+NH4]+ 252.00111 167.1
[M+K]+ 272.93045 152.4
[M+H-H2O]+ 216.96455 142.9
[M+HCOO]- 278.96549 155.1
[M+CH3COO]- 292.98114 160.0
[M+Na-2H]- 254.94196 147.7
[M]+ 233.96674 149.8
[M]- 233.96784 149.8
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.