CID 16683105

Hydrargaphen

Structural Information

Molecular Formula
C33H24Hg2O6S2
SMILES
C1=CC=C(C=C1)[Hg]OS(=O)(=O)C2=CC3=CC=CC=C3C=C2CC4=CC5=CC=CC=C5C=C4S(=O)(=O)O[Hg]C6=CC=CC=C6
InChI
InChI=1S/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2
InChIKey
KDNVJBRRDKAHDA-UHFFFAOYSA-L
Compound name
phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2126
Patents

984.0427 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 985.04998 292.2
[M+Na]+ 1007.0319 308.3
[M+NH4]+ 1002.0765 297.6
[M+K]+ 1023.0059 291.4
[M-H]- 983.03542 299.9
[M+Na-2H]- 1005.0174 301.5
[M]+ 984.04215 298.0
[M]- 984.04325 298.0
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