CID 55015

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

Structural Information

Molecular Formula
C9H9ClS2
SMILES
C1CSC(S1)C2=CC=CC=C2Cl
InChI
InChI=1S/C9H9ClS2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey
XRQMZWGXCMEAKW-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.98341 Da
Monoisotopic Mass

3.6
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

patents stripe