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: 6985
References: 94900
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]+	178.950496	133.8
[M+Na]+	200.932438	141.4
[M-H]-	176.935944	127.1
[M+NH4]+	195.977043	151.7
[M+K]+	216.906378	141.7
[M+H-H2O]+	160.940480	126.2
[M+HCOO]-	222.941421	162.2
[M+CH3COO]-	236.957071	166.9
[M+Na-2H]-	198.917886	138.2
[M]+	177.94267142	135.7
[M]-	177.94376858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe