CID 10665273

246158-59-8

Structural Information

Molecular Formula

C₂₁H₃₁O₂P

SMILES

C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4OCCO4

InChI

InChI=1S/C21H31O2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21/h7-8,13-14,17-18,21H,1-6,9-12,15-16H2

InChIKey

DIFRDTMQEINUSG-UHFFFAOYSA-N

Compound name

dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 346.20618 Da
Monoisotopic Mass: 4.5
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]+	347.21346	188.2
[M+Na]+	369.19540	185.9
[M-H]-	345.19890	197.4
[M+NH4]+	364.24000	198.8
[M+K]+	385.16934	184.4
[M+H-H2O]+	329.20344	176.6
[M+HCOO]-	391.20438	204.3
[M+CH3COO]-	405.22003	195.1
[M+Na-2H]-	367.18085	181.0
[M]+	346.20563	177.9
[M]-	346.20673	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe