CID 56923622

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

Structural Information

Molecular Formula
C45H51N2P
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

compound 2d structure
1
Annotation Hits

0
References

36
Patents

650.37897 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.38625 267.5
[M+Na]+ 673.36819 284.8
[M+NH4]+ 668.41279 273.7
[M+K]+ 689.34213 275.3
[M-H]- 649.37169 279.4
[M+Na-2H]- 671.35364 280.1
[M]+ 650.37842 273.8
[M]- 650.37952 273.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.