PubChemLite - Hexametaphosphate (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	250.4
[M+Na]+	496.74026	253.9
[M-H]-	472.74376	253.4
[M+NH4]+	491.78486	261.8
[M+K]+	512.71420	256.2
[M+H-H2O]+	456.74830	218.4
[M+HCOO]-	518.74924	274.7
[M+CH3COO]-	532.76489	216.7
[M+Na-2H]-	494.72571	223.0
[M]+	473.75049	244.7
[M]-	473.75159	244.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.75832

250.4

[M+Na]+

496.74026

253.9

[M-H]-

472.74376

253.4

[M+NH4]+

491.78486

261.8

[M+K]+

512.71420

256.2

[M+H-H2O]+

456.74830

218.4

[M+HCOO]-

518.74924

274.7

[M+CH3COO]-

532.76489

216.7

[M+Na-2H]-

494.72571

223.0

[M]+

473.75049

244.7

[M]-

473.75159

244.7

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

Hexametaphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe