CID 118646

34332-96-2

Structural Information

Molecular Formula

C₁₅H₂₅O₄P

SMILES

CCCCCCCCCC1=CC=C(C=C1)OP(=O)(O)O

InChI

InChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19-20(16,17)18/h10-13H,2-9H2,1H3,(H2,16,17,18)

InChIKey

BIUMPKSWMFBEOF-UHFFFAOYSA-N

Compound name

(4-nonylphenyl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1471
Patents: 300.14905 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]+	301.156326	176.3
[M+Na]+	323.138268	181.0
[M-H]-	299.141774	175.1
[M+NH4]+	318.182873	190.7
[M+K]+	339.112208	177.7
[M+H-H2O]+	283.146310	167.5
[M+HCOO]-	345.147251	200.3
[M+CH3COO]-	359.162901	200.1
[M+Na-2H]-	321.123716	176.5
[M]+	300.14850142	180.9
[M]-	300.14959858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe