CID 67197322

Tris(1-adamantyl)phosphine

Structural Information

Molecular Formula
C30H45P
SMILES
C1C2CC3CC1CC(C2)(C3)P(C45CC6CC(C4)CC(C6)C5)C78CC9CC(C7)CC(C9)C8
InChI
InChI=1S/C30H45P/c1-19-2-21-3-20(1)11-28(10-19,12-21)31(29-13-22-4-23(14-29)6-24(5-22)15-29)30-16-25-7-26(17-30)9-27(8-25)18-30/h19-27H,1-18H2
InChIKey
BQQJSZUDBXOSAG-UHFFFAOYSA-N
Compound name
tris(1-adamantyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

436.3259 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.33318 166.2
[M+Na]+ 459.31512 148.2
[M-H]- 435.31862 150.0
[M+NH4]+ 454.35972 180.2
[M+K]+ 475.28906 140.0
[M+H-H2O]+ 419.32316 137.2
[M+HCOO]- 481.32410 144.1
[M+CH3COO]- 495.33975 158.3
[M+Na-2H]- 457.30057 161.9
[M]+ 436.32535 152.9
[M]- 436.32645 152.9
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

patents stripe