CID 2776584

(pentamethylbenzyl)triphenylphosphonium chloride

Structural Information

Molecular Formula
C30H32P
SMILES
CC1=C(C(=C(C(=C1C)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C
InChI
InChI=1S/C30H32P/c1-22-23(2)25(4)30(26(5)24(22)3)21-31(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20H,21H2,1-5H3/q+1
InChIKey
LNIWVUNXGUSQIE-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentamethylphenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.22415 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23143 217.2
[M+Na]+ 446.21337 222.8
[M-H]- 422.21687 228.3
[M+NH4]+ 441.25797 226.9
[M+K]+ 462.18731 209.7
[M+H-H2O]+ 406.22141 205.9
[M+HCOO]- 468.22235 240.6
[M+CH3COO]- 482.23800 228.0
[M+Na-2H]- 444.19882 215.6
[M]+ 423.22360 216.7
[M]- 423.22470 216.7
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.