CID 75816

Dodecyl dihydrogen phosphate

Structural Information

Molecular Formula

C₁₂H₂₇O₄P

SMILES

CCCCCCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)

InChIKey

TVACALAUIQMRDF-UHFFFAOYSA-N

Compound name

dodecyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 21
References: 23710
Patents: 266.1647 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]+	267.17198	171.3
[M+Na]+	289.15392	175.2
[M-H]-	265.15742	166.4
[M+NH4]+	284.19852	187.1
[M+K]+	305.12786	173.0
[M+H-H2O]+	249.16196	163.6
[M+HCOO]-	311.16290	194.7
[M+CH3COO]-	325.17855	194.5
[M+Na-2H]-	287.13937	171.3
[M]+	266.16415	177.2
[M]-	266.16525	177.2

Literature stripe

literature stripe

Patent stripe

patents stripe