PubChemLite - Metaphosphate (p6o186-) (O18P6)

Structural Information

Molecular Formula

SMILES

[O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-]

InChI

InChI=1S/H6O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/p-6

InChIKey

SZGVJLCXTSBVKL-UHFFFAOYSA-H

Compound name

2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide

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]+	474.75832	158.2
[M+Na]+	496.74026	162.1
[M+NH4]+	491.78486	167.7
[M+K]+	512.71420	174.2
[M-H]-	472.74376	161.6
[M+Na-2H]-	494.72571	166.6
[M]+	473.75049	162.8
[M]-	473.75159	162.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.75832

158.2

[M+Na]+

496.74026

162.1

[M+NH4]+

491.78486

167.7

[M+K]+

512.71420

174.2

[M-H]-

472.74376

161.6

[M+Na-2H]-

494.72571

166.6

[M]+

473.75049

162.8

[M]-

473.75159

162.8

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

Metaphosphate (p6o186-)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe