CID 11430600

1-(2-(di-tert-butylphosphino)phenyl)-3,5-diphenyl-1h-pyrazole

Structural Information

Molecular Formula
C29H33N2P
SMILES
CC(C)(C)P(C1=CC=CC=C1N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C
InChI
InChI=1S/C29H33N2P/c1-28(2,3)32(29(4,5)6)27-20-14-13-19-25(27)31-26(23-17-11-8-12-18-23)21-24(30-31)22-15-9-7-10-16-22/h7-21H,1-6H3
InChIKey
JAIIBHBCNPAPPF-UHFFFAOYSA-N
Compound name
ditert-butyl-[2-(3,5-diphenylpyrazol-1-yl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

440.23813 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.24541 216.1
[M+Na]+ 463.22735 220.4
[M-H]- 439.23085 224.5
[M+NH4]+ 458.27195 224.2
[M+K]+ 479.20129 213.8
[M+H-H2O]+ 423.23539 202.2
[M+HCOO]- 485.23633 236.0
[M+CH3COO]- 499.25198 233.9
[M+Na-2H]- 461.21280 212.0
[M]+ 440.23758 216.1
[M]- 440.23868 216.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe