CID 11371790

Bis(adamantan-1-yl)(butyl)phosphane

Structural Information

Molecular Formula
C24H39P
SMILES
CCCCP(C12CC3CC(C1)CC(C3)C2)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C24H39P/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24/h17-22H,2-16H2,1H3
InChIKey
HTJWUNNIRKDDIV-UHFFFAOYSA-N
Compound name
bis(1-adamantyl)-butylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6456
Patents

358.27893 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.28621 185.6
[M+Na]+ 381.26815 175.8
[M-H]- 357.27165 172.9
[M+NH4]+ 376.31275 206.1
[M+K]+ 397.24209 168.6
[M+H-H2O]+ 341.27619 166.9
[M+HCOO]- 403.27713 176.1
[M+CH3COO]- 417.29278 183.8
[M+Na-2H]- 379.25360 185.4
[M]+ 358.27838 179.5
[M]- 358.27948 179.5
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