CID 2773795

4721-22-6

Structural Information

Molecular Formula

C₆H₁₆O₆P₂

SMILES

C(CCCP(=O)(O)O)CCP(=O)(O)O

InChI

InChI=1S/C6H16O6P2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2,(H2,7,8,9)(H2,10,11,12)

InChIKey

WDYVUKGVKRZQNM-UHFFFAOYSA-N

Compound name

6-phosphonohexylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19218
Patents: 246.0422 Da
Monoisotopic Mass: -2.0
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]+	247.04948	155.1
[M+Na]+	269.03142	159.4
[M+NH4]+	264.07602	157.4
[M+K]+	285.00536	159.2
[M-H]-	245.03492	147.8
[M+Na-2H]-	267.01687	152.6
[M]+	246.04165	152.8
[M]-	246.04275	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe