CID 55017

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

Structural Information

Molecular Formula
C9H8Cl2S2
SMILES
C1CSC(S1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H8Cl2S2/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKey
UCYKMVSEQPLQBB-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.94444 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95172 148.6
[M+Na]+ 272.93366 158.8
[M-H]- 248.93716 155.4
[M+NH4]+ 267.97826 170.0
[M+K]+ 288.90760 152.4
[M+H-H2O]+ 232.94170 145.3
[M+HCOO]- 294.94264 152.4
[M+CH3COO]- 308.95829 161.2
[M+Na-2H]- 270.91911 146.8
[M]+ 249.94389 150.8
[M]- 249.94499 150.8
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