CID 78816

Dodecylphosphonic acid

Structural Information

Molecular Formula

C₁₂H₂₇O₃P

SMILES

CCCCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C12H27O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H2,13,14,15)

InChIKey

SVMUEEINWGBIPD-UHFFFAOYSA-N

Compound name

dodecylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 4555
Patents: 250.16978 Da
Monoisotopic Mass: 4.0
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]+	251.177056	169.0
[M+Na]+	273.158998	173.1
[M-H]-	249.162504	164.2
[M+NH4]+	268.203603	185.6
[M+K]+	289.132938	170.3
[M+H-H2O]+	233.167040	161.6
[M+HCOO]-	295.167981	192.2
[M+CH3COO]-	309.183631	192.5
[M+Na-2H]-	271.144446	168.8
[M]+	250.16923142	173.6
[M]-	250.17032858	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe