CID 12140166

672937-60-9

Structural Information

Molecular Formula

C₂₂H₃₀NP

SMILES

C1CCC(CC1)P(C2CCCCC2)C3=CC=CN3C4=CC=CC=C4

InChI

InChI=1S/C22H30NP/c1-4-11-19(12-5-1)23-18-10-17-22(23)24(20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1,4-5,10-12,17-18,20-21H,2-3,6-9,13-16H2

InChIKey

RVFZOTGUPNHVRA-UHFFFAOYSA-N

Compound name

dicyclohexyl-(1-phenylpyrrol-2-yl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 213
Patents: 339.21158 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]+	340.21886	185.4
[M+Na]+	362.20080	184.3
[M-H]-	338.20430	192.5
[M+NH4]+	357.24540	197.7
[M+K]+	378.17474	179.0
[M+H-H2O]+	322.20884	171.9
[M+HCOO]-	384.20978	204.1
[M+CH3COO]-	398.22543	192.4
[M+Na-2H]-	360.18625	178.1
[M]+	339.21103	174.7
[M]-	339.21213	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe