CID 111734

Nonyl dihydrogen phosphate

Structural Information

Molecular Formula

C₉H₂₁O₄P

SMILES

CCCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C9H21O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2-9H2,1H3,(H2,10,11,12)

InChIKey

WYAKJXQRALMWPB-UHFFFAOYSA-N

Compound name

nonyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1149
Patents: 224.11775 Da
Monoisotopic Mass: 2.4
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]+	225.125026	157.3
[M+Na]+	247.106968	162.5
[M-H]-	223.110474	153.0
[M+NH4]+	242.151573	174.8
[M+K]+	263.080908	161.0
[M+H-H2O]+	207.115010	150.2
[M+HCOO]-	269.115951	181.7
[M+CH3COO]-	283.131601	185.4
[M+Na-2H]-	245.092416	158.8
[M]+	224.11720142	162.1
[M]-	224.11829858	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe