CID 438876

1,3-bis(dicyclohexylphosphino)propane

Structural Information

Molecular Formula

C₂₇H₅₀P₂

SMILES

C1CCC(CC1)P(CCCP(C2CCCCC2)C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C27H50P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h24-27H,1-23H2

InChIKey

RSJBEKXKEUQLER-UHFFFAOYSA-N

Compound name

dicyclohexyl(3-dicyclohexylphosphanylpropyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1189
Patents: 436.33878 Da
Monoisotopic Mass: 7.2
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]+	437.34606	216.9
[M+Na]+	459.32800	205.8
[M-H]-	435.33150	219.6
[M+NH4]+	454.37260	223.9
[M+K]+	475.30194	200.9
[M+H-H2O]+	419.33604	200.3
[M+HCOO]-	481.33698	229.4
[M+CH3COO]-	495.35263	232.5
[M+Na-2H]-	457.31345	199.4
[M]+	436.33823	198.0
[M]-	436.33933	198.0

Literature stripe

literature stripe

Patent stripe

patents stripe