CID 312552

Hexylphosphonic acid

Structural Information

Molecular Formula

C₆H₁₅O₃P

SMILES

CCCCCCP(=O)(O)O

InChI

InChI=1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)

InChIKey

GJWAEWLHSDGBGG-UHFFFAOYSA-N

Compound name

hexylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6102
Patents: 166.07588 Da
Monoisotopic Mass: 0.7
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]+	167.08316	140.8
[M+Na]+	189.06510	147.4
[M-H]-	165.06860	137.1
[M+NH4]+	184.10970	160.8
[M+K]+	205.03904	146.2
[M+H-H2O]+	149.07314	134.7
[M+HCOO]-	211.07408	166.0
[M+CH3COO]-	225.08973	174.2
[M+Na-2H]-	187.05055	143.8
[M]+	166.07533	143.1
[M]-	166.07643	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe