CID 494170

Nsc 197043

Structural Information

Molecular Formula
C10H8ClS3
SMILES
CSC1=[S+]SC(=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClS3/c1-12-10-6-9(13-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3/q+1
InChIKey
DGYVRGHHMNGXKB-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-methylsulfanyldithiol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.94766 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.95494 146.9
[M+Na]+ 281.93688 158.2
[M-H]- 257.94038 154.3
[M+NH4]+ 276.98148 167.1
[M+K]+ 297.91082 145.6
[M+H-H2O]+ 241.94492 145.6
[M+HCOO]- 303.94586 152.2
[M+CH3COO]- 317.96151 184.4
[M+Na-2H]- 279.92233 148.2
[M]+ 258.94711 148.9
[M]- 258.94821 148.9
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.