CID 19892

Octyl dihydrogen phosphate

Structural Information

Molecular Formula

C₈H₁₉O₄P

SMILES

CCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)

InChIKey

WRKCIHRWQZQBOL-UHFFFAOYSA-N

Compound name

octyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 18
References: 10365
Patents: 210.1021 Da
Monoisotopic Mass: 1.9
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	152.6
[M+Na]+	233.091318	158.2
[M-H]-	209.094824	148.4
[M+NH4]+	228.135923	170.7
[M+K]+	249.065258	157.0
[M+H-H2O]+	193.099360	145.7
[M+HCOO]-	255.100301	177.3
[M+CH3COO]-	269.115951	182.4
[M+Na-2H]-	231.076766	154.6
[M]+	210.10155142	157.0
[M]-	210.10264858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe