CID 197147

Tetraphosphoric acid

Structural Information

Molecular Formula

H₆O₁₃P₄

SMILES

OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/H6O13P4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)

InChIKey

YDHWWBZFRZWVHO-UHFFFAOYSA-N

Compound name

[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8458
Patents: 337.8759 Da
Monoisotopic Mass: -5.4
XlogP (predicted)

Profile

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]+	338.88318	173.4
[M+Na]+	360.86512	170.3
[M-H]-	336.86862	178.4
[M+NH4]+	355.90972	174.0
[M+K]+	376.83906	157.6
[M+H-H2O]+	320.87316	138.4
[M+HCOO]-	382.87410	192.2
[M+CH3COO]-	396.88975	192.5
[M+Na-2H]-	358.85057	155.8
[M]+	337.87535	170.3
[M]-	337.87645	170.3

Literature stripe

literature stripe

Patent stripe

patents stripe