CID 102436570

10-undecynylphosphonic acid

Structural Information

Molecular Formula

C₁₁H₂₁O₃P

SMILES

C#CCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C11H21O3P/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h1H,3-11H2,(H2,12,13,14)

InChIKey

BIZPDRIJJPZLIK-UHFFFAOYSA-N

Compound name

undec-10-ynylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 232.12283 Da
Monoisotopic Mass: 2.4
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]+	233.13011	153.0
[M+Na]+	255.11205	160.2
[M-H]-	231.11555	148.7
[M+NH4]+	250.15665	168.6
[M+K]+	271.08599	157.2
[M+H-H2O]+	215.12009	140.6
[M+HCOO]-	277.12103	171.3
[M+CH3COO]-	291.13668	195.2
[M+Na-2H]-	253.09750	153.9
[M]+	232.12228	151.2
[M]-	232.12338	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe