CID 134818005

5-ho-ehdpp

Structural Information

Molecular Formula

C₂₀H₂₇O₅P

SMILES

CCC(CCC(C)O)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C20H27O5P/c1-3-18(15-14-17(2)21)16-23-26(22,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-13,17-18,21H,3,14-16H2,1-2H3

InChIKey

PZMFWNXABLTZRN-UHFFFAOYSA-N

Compound name

(2-ethyl-5-hydroxyhexyl) diphenyl phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 378.1596 Da
Monoisotopic Mass: 4.8
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]+	379.16688	194.2
[M+Na]+	401.14882	196.4
[M-H]-	377.15232	196.9
[M+NH4]+	396.19342	204.8
[M+K]+	417.12276	194.3
[M+H-H2O]+	361.15686	183.0
[M+HCOO]-	423.15780	217.5
[M+CH3COO]-	437.17345	215.8
[M+Na-2H]-	399.13427	193.1
[M]+	378.15905	199.0
[M]-	378.16015	199.0

Literature stripe

literature stripe

Patent stripe

patents stripe