PubChemLite - Einecs 301-792-3 (C32H26Hg2O9)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)[Hg]OC(=O)C2=CC=CC=C2C(=O)OCCOCCOC(=O)C3=CC=CC=C3C(=O)O[Hg]C4=CC=CC=C4

InChI

InChI=1S/C20H18O9.2C6H5.2Hg/c21-17(22)13-5-1-3-7-15(13)19(25)28-11-9-27-10-12-29-20(26)16-8-4-2-6-14(16)18(23)24;2*1-2-4-6-5-3-1;;/h1-8H,9-12H2,(H,21,22)(H,23,24);2*1-5H;;/q;;;2*+1/p-2

InChIKey

OMNHRGVZCRDKHO-UHFFFAOYSA-L

Compound name

phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury

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]+	959.10628	307.7
[M+Na]+	981.08822	303.8
[M-H]-	957.09172	314.6
[M+NH4]+	976.13282	303.5
[M+K]+	997.06216	300.7
[M+H-H2O]+	941.09626	289.6
[M+HCOO]-	1003.0972	320.6
[M+CH3COO]-	1017.1129	265.1
[M+Na-2H]-	979.07367	297.4
[M]+	958.09845	314.0
[M]-	958.09955	314.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

959.10628

307.7

[M+Na]+

981.08822

303.8

[M-H]-

957.09172

314.6

[M+NH4]+

976.13282

303.5

[M+K]+

997.06216

300.7

[M+H-H2O]+

941.09626

289.6

[M+HCOO]-

1003.0972

320.6

[M+CH3COO]-

1017.1129

265.1

[M+Na-2H]-

979.07367

297.4

[M]+

958.09845

314.0

[M]-

958.09955

314.0

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

Einecs 301-792-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe