CID 498095

Nsc116663

Structural Information

Molecular Formula
C26H24HgS2
SMILES
C1=CC=C(C=C1)[S+](C[Hg]C[S+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/2C13H12S.Hg/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2*2-11H,1H2;/q2*+1;
InChIKey
HSDIQTDMFUTCLE-UHFFFAOYSA-N
Compound name
bis(diphenylsulfoniomethyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.1026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.10988 235.5
[M+Na]+ 625.09182 236.5
[M-H]- 601.09532 244.2
[M+NH4]+ 620.13642 242.0
[M+K]+ 641.06576 216.6
[M+H-H2O]+ 585.09986 228.3
[M+HCOO]- 647.10080 242.7
[M+CH3COO]- 661.11645 217.1
[M+Na-2H]- 623.07727 235.0
[M]+ 602.10205 231.8
[M]- 602.10315 231.8
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.