CID 56949990

1357398-60-7

Structural Information

Molecular Formula

C₂₆H₃₃N₂P

SMILES

CN1C2=CC=CC=C2N=C1C3=CC=CC=C3P(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C26H33N2P/c1-28-24-18-10-9-17-23(24)27-26(28)22-16-8-11-19-25(22)29(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h8-11,16-21H,2-7,12-15H2,1H3

InChIKey

IBOIHFPCQHFOOP-UHFFFAOYSA-N

Compound name

dicyclohexyl-[2-(1-methylbenzimidazol-2-yl)phenyl]phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 404.23813 Da
Monoisotopic Mass: 6.3
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]+	405.245406	201.7
[M+Na]+	427.227348	202.6
[M-H]-	403.230854	208.7
[M+NH4]+	422.271953	211.1
[M+K]+	443.201288	195.4
[M+H-H2O]+	387.235390	186.4
[M+HCOO]-	449.236331	218.4
[M+CH3COO]-	463.251981	207.7
[M+Na-2H]-	425.212796	194.1
[M]+	404.23758142	193.1
[M]-	404.23867858	193.1

Literature stripe

literature stripe

Patent stripe

patents stripe