PubChemLite - Hydrargaphen (C33H24Hg2O6S2)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	985.04998	307.3
[M+Na]+	1007.0319	310.0
[M-H]-	983.03542	315.8
[M+NH4]+	1002.0765	306.0
[M+K]+	1023.0059	302.0
[M+H-H2O]+	967.03996	291.2
[M+HCOO]-	1029.0409	311.8
[M+CH3COO]-	1043.0566	306.9
[M+Na-2H]-	1005.0174	307.9
[M]+	984.04215	313.1
[M]-	984.04325	313.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

985.04998

307.3

[M+Na]+

1007.0319

310.0

[M-H]-

983.03542

315.8

[M+NH4]+

1002.0765

306.0

[M+K]+

1023.0059

302.0

[M+H-H2O]+

967.03996

291.2

[M+HCOO]-

1029.0409

311.8

[M+CH3COO]-

1043.0566

306.9

[M+Na-2H]-

1005.0174

307.9

[M]+

984.04215

313.1

[M]-

984.04325

313.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hydrargaphen

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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