CID 500017

Nsc185349

Structural Information

Molecular Formula
C10H9S2
SMILES
CC1=CC(=[S+]S1)C2=CC=CC=C2
InChI
InChI=1S/C10H9S2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3/q+1
InChIKey
AUWONZJNWKWZBI-UHFFFAOYSA-N
Compound name
3-methyl-5-phenyldithiol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.01457 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02185 136.2
[M+Na]+ 216.00379 146.5
[M-H]- 192.00729 144.1
[M+NH4]+ 211.04839 158.4
[M+K]+ 231.97773 136.7
[M+H-H2O]+ 176.01183 133.7
[M+HCOO]- 238.01277 151.9
[M+CH3COO]- 252.02842 173.9
[M+Na-2H]- 213.98924 139.6
[M]+ 193.01402 137.0
[M]- 193.01512 137.0
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.