CID 15591288

46438-39-5

Structural Information

Molecular Formula

C₁₀H₁₅O₄P

SMILES

CCCCOP(=O)(O)OC1=CC=CC=C1

InChI

InChI=1S/C10H15O4P/c1-2-3-9-13-15(11,12)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,11,12)

InChIKey

GTORMKXYQMWBEP-UHFFFAOYSA-N

Compound name

butyl phenyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 230.0708 Da
Monoisotopic Mass: 2.5
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]+	231.07808	152.4
[M+Na]+	253.06002	158.8
[M-H]-	229.06352	153.2
[M+NH4]+	248.10462	170.0
[M+K]+	269.03396	157.5
[M+H-H2O]+	213.06806	144.1
[M+HCOO]-	275.06900	179.6
[M+CH3COO]-	289.08465	186.4
[M+Na-2H]-	251.04547	156.4
[M]+	230.07025	156.7
[M]-	230.07135	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe