CID 55014

2-(m-chlorophenyl)-1,3-dithiolane

Structural Information

Molecular Formula
C9H9ClS2
SMILES
C1CSC(S1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C9H9ClS2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2
InChIKey
YBEYXOZUUNCVBW-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.98341 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99069 142.1
[M+Na]+ 238.97263 151.6
[M-H]- 214.97613 149.2
[M+NH4]+ 234.01723 164.3
[M+K]+ 254.94657 146.2
[M+H-H2O]+ 198.98067 137.9
[M+HCOO]- 260.98161 151.0
[M+CH3COO]- 274.99726 155.4
[M+Na-2H]- 236.95808 141.6
[M]+ 215.98286 143.2
[M]- 215.98396 143.2
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

No patent data available for this compound.