CID 10327332

Pravibismane

Structural Information

Molecular Formula
C6H12Bi2S6
SMILES
C1CS[Bi](S1)SCCS[Bi]2SCCS2
InChI
InChI=1S/3C2H6S2.2Bi/c3*3-1-2-4;;/h3*3-4H,1-2H2;;/q;;;2*+3/p-6
InChIKey
GUTNLKRPYCTIHX-UHFFFAOYSA-H
Compound name
2-[2-(1,3,2-dithiabismolan-2-ylsulfanyl)ethylsulfanyl]-1,3,2-dithiabismolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

135
Patents

693.88715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.89443 235.0
[M+Na]+ 716.87637 239.9
[M-H]- 692.87987 232.7
[M+NH4]+ 711.92097 247.0
[M+K]+ 732.85031 227.2
[M+H-H2O]+ 676.88441 227.9
[M+HCOO]- 738.88535 221.2
[M+CH3COO]- 752.90100 235.7
[M+Na-2H]- 714.86182 227.0
[M]+ 693.88660 223.6
[M]- 693.88770 223.6
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