CID 4132237

(2-adamantan-1-yl-2-oxo-ethyl)-triphenyl-phosphonium, bromide

Structural Information

Molecular Formula
C30H32OP
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H32OP/c31-29(30-19-23-16-24(20-30)18-25(17-23)21-30)22-32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,23-25H,16-22H2/q+1
InChIKey
OJQHEBOEZGOSPJ-UHFFFAOYSA-N
Compound name
[2-(1-adamantyl)-2-oxoethyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.2191 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.22638 207.7
[M+Na]+ 462.20832 203.8
[M-H]- 438.21182 208.8
[M+NH4]+ 457.25292 221.3
[M+K]+ 478.18226 192.4
[M+H-H2O]+ 422.21636 193.8
[M+HCOO]- 484.21730 214.4
[M+CH3COO]- 498.23295 210.3
[M+Na-2H]- 460.19377 212.8
[M]+ 439.21855 202.9
[M]- 439.21965 202.9
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.