CID 426601

Nsc194606

Structural Information

Molecular Formula
C9H6ClS2
SMILES
C1=CC(=CC=C1C2=CC=[S+]S2)Cl
InChI
InChI=1S/C9H6ClS2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H/q+1
InChIKey
UNIQYAOWNXHSET-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)dithiol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.95995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.96723 138.5
[M+Na]+ 235.94917 149.5
[M-H]- 211.95267 146.4
[M+NH4]+ 230.99377 160.6
[M+K]+ 251.92311 138.6
[M+H-H2O]+ 195.95721 136.9
[M+HCOO]- 257.95815 149.9
[M+CH3COO]- 271.97380 174.7
[M+Na-2H]- 233.93462 141.9
[M]+ 212.95940 140.6
[M]- 212.96050 140.6
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.