CID 22112692

Undecylphosphonic acid

Structural Information

Molecular Formula

C₁₁H₂₅O₃P

SMILES

CCCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C11H25O3P/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h2-11H2,1H3,(H2,12,13,14)

InChIKey

GKIQHTGBORJXKZ-UHFFFAOYSA-N

Compound name

undecylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 470
Patents: 236.15413 Da
Monoisotopic Mass: 3.4
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]+	237.16141	164.4
[M+Na]+	259.14335	168.8
[M-H]-	235.14685	159.8
[M+NH4]+	254.18795	181.5
[M+K]+	275.11729	166.4
[M+H-H2O]+	219.15139	157.2
[M+HCOO]-	281.15233	187.9
[M+CH3COO]-	295.16798	189.5
[M+Na-2H]-	257.12880	164.7
[M]+	236.15358	168.5
[M]-	236.15468	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe