CID 7881

Dibutyl phosphate

Structural Information

Molecular Formula

C₈H₁₉O₄P

SMILES

CCCCOP(=O)(O)OCCCC

InChI

InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)

InChIKey

JYFHYPJRHGVZDY-UHFFFAOYSA-N

Compound name

dibutyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 42
References: 27674
Patents: 210.1021 Da
Monoisotopic Mass: 1.5
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]+	211.109376	151.4
[M+Na]+	233.091318	157.5
[M-H]-	209.094824	148.8
[M+NH4]+	228.135923	170.3
[M+K]+	249.065258	157.3
[M+H-H2O]+	193.099360	144.4
[M+HCOO]-	255.100301	177.8
[M+CH3COO]-	269.115951	185.0
[M+Na-2H]-	231.076766	154.1
[M]+	210.10155142	157.9
[M]-	210.10264858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe