CID 109690

Heptyl nonyl hydrogen phosphate

Structural Information

Molecular Formula

C₁₆H₃₅O₄P

SMILES

CCCCCCCCCOP(=O)(O)OCCCCCCC

InChI

InChI=1S/C16H35O4P/c1-3-5-7-9-10-12-14-16-20-21(17,18)19-15-13-11-8-6-4-2/h3-16H2,1-2H3,(H,17,18)

InChIKey

NYKANSKCKXDDMQ-UHFFFAOYSA-N

Compound name

heptyl nonyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 186
Patents: 322.2273 Da
Monoisotopic Mass: 5.8
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]+	323.23458	182.7
[M+Na]+	345.21652	188.7
[M+NH4]+	340.26112	186.7
[M+K]+	361.19046	183.0
[M-H]-	321.22002	178.9
[M+Na-2H]-	343.20197	181.6
[M]+	322.22675	182.0
[M]-	322.22785	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe