CID 31162

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

Structural Information

Molecular Formula
C9H9ClOS
SMILES
C1CSC(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H9ClOS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey
SZAPXYMTZBFEND-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

200.00627 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01355 139.5
[M+Na]+ 222.99549 148.6
[M-H]- 198.99899 147.3
[M+NH4]+ 218.04009 160.8
[M+K]+ 238.96943 145.6
[M+H-H2O]+ 183.00353 135.0
[M+HCOO]- 245.00447 153.3
[M+CH3COO]- 259.02012 153.6
[M+Na-2H]- 220.98094 142.1
[M]+ 200.00572 141.5
[M]- 200.00682 141.5
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