CID 11746426

Dipropyldiphosphonic acid

Structural Information

Molecular Formula

C₆H₁₆O₅P₂

SMILES

CCCP(=O)(O)OP(=O)(CCC)O

InChI

InChI=1S/C6H16O5P2/c1-3-5-12(7,8)11-13(9,10)6-4-2/h3-6H2,1-2H3,(H,7,8)(H,9,10)

InChIKey

MNGBGMIBJMKFMJ-UHFFFAOYSA-N

Compound name

[hydroxy(propyl)phosphoryl]oxy-propylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 14050
Patents: 230.0473 Da
Monoisotopic Mass: -0.4
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]+	231.05458	151.3
[M+Na]+	253.03652	157.2
[M+NH4]+	248.08112	154.9
[M+K]+	269.01046	155.8
[M-H]-	229.04002	145.6
[M+Na-2H]-	251.02197	150.5
[M]+	230.04675	149.9
[M]-	230.04785	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe