PubChemLite - [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine nickel(ii) dichloride (C45H51N2P)

Structural Information

Molecular Formula

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=CC=C6C(C)C)C(C)C

InChI

InChI=1S/C45H51N2P/c1-32(2)39-26-18-27-40(33(3)4)43(39)46-30-31-47(44-41(34(5)6)28-19-29-42(44)35(7)8)45(46)48(36-20-12-9-13-21-36,37-22-14-10-15-23-37)38-24-16-11-17-25-38/h9-35H,1-8H3

InChIKey

GBWPWJVAJYTYLL-UHFFFAOYSA-N

Compound name

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-triphenyl-lambda5-phosphane

Related CIDs

2D Structure

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]+	651.38625	266.7
[M+Na]+	673.36819	266.3
[M-H]-	649.37169	279.1
[M+NH4]+	668.41279	264.3
[M+K]+	689.34213	257.6
[M+H-H2O]+	633.37623	248.7
[M+HCOO]-	695.37717	280.8
[M+CH3COO]-	709.39282	268.5
[M+Na-2H]-	671.35364	252.3
[M]+	650.37842	264.4
[M]-	650.37952	264.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

651.38625

266.7

[M+Na]+

673.36819

266.3

[M-H]-

649.37169

279.1

[M+NH4]+

668.41279

264.3

[M+K]+

689.34213

257.6

[M+H-H2O]+

633.37623

248.7

[M+HCOO]-

695.37717

280.8

[M+CH3COO]-

709.39282

268.5

[M+Na-2H]-

671.35364

252.3

[M]+

650.37842

264.4

[M]-

650.37952

264.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine nickel(ii) dichloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe