CID 12130738

Ns00096983

Structural Information

Molecular Formula
C10H4S4
SMILES
C1=CSC2=C1C3=C(S2)SC4=C3C=CS4
InChI
InChI=1S/C10H4S4/c1-3-11-8-5(1)7-6-2-4-12-9(6)14-10(7)13-8/h1-4H
InChIKey
GJCRJEUCHGLWSH-UHFFFAOYSA-N
Compound name
5,7,9,11-tetrathiatetracyclo[6.6.0.02,6.010,14]tetradeca-1(8),2(6),3,10(14),12-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.91959 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.926866 157.5
[M+Na]+ 274.908808 177.4
[M-H]- 250.912314 166.7
[M+NH4]+ 269.953413 186.4
[M+K]+ 290.882748 172.6
[M+H-H2O]+ 234.916850 159.7
[M+HCOO]- 296.917791 168.2
[M+CH3COO]- 310.933441 173.3
[M+Na-2H]- 272.894256 159.1
[M]+ 251.91904142 167.5
[M]- 251.92013858 167.5
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.