CID 1023

Diphosphoric acid

Structural Information

Molecular Formula

H₄O₇P₂

SMILES

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

InChI

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

InChIKey

XPPKVPWEQAFLFU-UHFFFAOYSA-N

Compound name

phosphono dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 6975
References: 96325
Patents: 177.94322 Da
Monoisotopic Mass: -3.2
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]+	178.95050	133.8
[M+Na]+	200.93244	141.4
[M-H]-	176.93594	127.1
[M+NH4]+	195.97704	151.7
[M+K]+	216.90638	141.7
[M+H-H2O]+	160.94048	126.2
[M+HCOO]-	222.94142	162.2
[M+CH3COO]-	236.95707	166.9
[M+Na-2H]-	198.91789	138.2
[M]+	177.94267	135.7
[M]-	177.94377	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe