CID 11547931

Bippyphos

Structural Information

Molecular Formula
C32H35N4P
SMILES
CC(C)(C)P(C1=CC=NN1C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C
InChI
InChI=1S/C32H35N4P/c1-31(2,3)37(32(4,5)6)27-22-23-33-36(27)30-28(24-16-10-7-11-17-24)34-35(26-20-14-9-15-21-26)29(30)25-18-12-8-13-19-25/h7-23H,1-6H3
InChIKey
PTXJGGGNGMPMBG-UHFFFAOYSA-N
Compound name
ditert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

826
Patents

506.25995 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.26723 229.4
[M+Na]+ 529.24917 234.4
[M-H]- 505.25267 239.5
[M+NH4]+ 524.29377 233.5
[M+K]+ 545.22311 227.0
[M+H-H2O]+ 489.25721 213.9
[M+HCOO]- 551.25815 248.4
[M+CH3COO]- 565.27380 235.7
[M+Na-2H]- 527.23462 223.1
[M]+ 506.25940 230.6
[M]- 506.26050 230.6
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

No patent data available for this compound.