CID 9868588

224311-55-1

Structural Information

Molecular Formula
C32H39P
SMILES
C1C2CC3CC1CC(C2)(C3)P(C4=CC=CC=C4C5=CC=CC=C5)C67CC8CC(C6)CC(C8)C7
InChI
InChI=1S/C32H39P/c1-2-6-28(7-3-1)29-8-4-5-9-30(29)33(31-16-22-10-23(17-31)12-24(11-22)18-31)32-19-25-13-26(20-32)15-27(14-25)21-32/h1-9,22-27H,10-21H2
InChIKey
MSKLBRMTWIUCEQ-UHFFFAOYSA-N
Compound name
bis(1-adamantyl)-(2-phenylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

454.27893 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.28621 184.9
[M+Na]+ 477.26815 174.2
[M-H]- 453.27165 177.2
[M+NH4]+ 472.31275 200.5
[M+K]+ 493.24209 166.4
[M+H-H2O]+ 437.27619 161.1
[M+HCOO]- 499.27713 175.8
[M+CH3COO]- 513.29278 182.5
[M+Na-2H]- 475.25360 184.4
[M]+ 454.27838 176.1
[M]- 454.27948 176.1
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