CID 214551

33446-90-1

Structural Information

Molecular Formula

C₂₄H₅₁OP

SMILES

CCCCCCC(C)P(=O)(C(C)CCCCCC)C(C)CCCCCC

InChI

InChI=1S/C24H51OP/c1-7-10-13-16-19-22(4)26(25,23(5)20-17-14-11-8-2)24(6)21-18-15-12-9-3/h22-24H,7-21H2,1-6H3

InChIKey

JNSVEJQHLBSWIJ-UHFFFAOYSA-N

Compound name

2-di(octan-2-yl)phosphoryloctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 386.36777 Da
Monoisotopic Mass: 9.3
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]+	387.37505	217.8
[M+Na]+	409.35699	217.4
[M-H]-	385.36049	214.1
[M+NH4]+	404.40159	211.0
[M+K]+	425.33093	213.8
[M+H-H2O]+	369.36503	208.7
[M+HCOO]-	431.36597	216.3
[M+CH3COO]-	445.38162	232.0
[M+Na-2H]-	407.34244	208.5
[M]+	386.36722	226.1
[M]-	386.36832	226.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe