CID 373749

3,6,9,14-tetrathiabicyclo[9.2.1]tetradeca-11,13-diene

Structural Information

Molecular Formula
C10H14S4
SMILES
C1CSCC2=CC=C(S2)CSCCS1
InChI
InChI=1S/C10H14S4/c1-2-10-8-13-6-4-11-3-5-12-7-9(1)14-10/h1-2H,3-8H2
InChIKey
GFFSEQUFOHFBGI-UHFFFAOYSA-N
Compound name
3,6,9,14-tetrathiabicyclo[9.2.1]tetradeca-1(13),11-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

261.99783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00511 151.6
[M+Na]+ 284.98705 159.2
[M-H]- 260.99055 150.4
[M+NH4]+ 280.03165 169.2
[M+K]+ 300.96099 154.0
[M+H-H2O]+ 244.99509 151.5
[M+HCOO]- 306.99603 149.6
[M+CH3COO]- 321.01168 160.3
[M+Na-2H]- 282.97250 151.9
[M]+ 261.99728 145.5
[M]- 261.99838 145.5
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

patents stripe