CID 207915

Brn 2271568

Structural Information

Molecular Formula
C8H6Cl2OS2
SMILES
CC(=O)SSC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H6Cl2OS2/c1-5(11)12-13-6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey
JXNFGIZJFRSVFB-UHFFFAOYSA-N
Compound name
S-(3,4-dichlorophenyl)sulfanyl ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.9237 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.93098 142.4
[M+Na]+ 274.91292 152.5
[M-H]- 250.91642 146.4
[M+NH4]+ 269.95752 161.9
[M+K]+ 290.88686 146.2
[M+H-H2O]+ 234.92096 139.4
[M+HCOO]- 296.92190 146.1
[M+CH3COO]- 310.93755 189.0
[M+Na-2H]- 272.89837 142.2
[M]+ 251.92315 148.0
[M]- 251.92425 148.0
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.