CID 4606109

(3,5-di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C33H38OP
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C33H37OP/c1-32(2,3)29-22-25(23-30(31(29)34)33(4,5)6)24-35(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-23H,24H2,1-6H3/p+1
InChIKey
FBVXVVACURDCMW-UHFFFAOYSA-O
Compound name
(3,5-ditert-butyl-4-hydroxyphenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

481.26602 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.27330 232.0
[M+Na]+ 504.25524 234.6
[M-H]- 480.25874 241.1
[M+NH4]+ 499.29984 238.2
[M+K]+ 520.22918 222.3
[M+H-H2O]+ 464.26328 221.0
[M+HCOO]- 526.26422 249.8
[M+CH3COO]- 540.27987 233.4
[M+Na-2H]- 502.24069 233.1
[M]+ 481.26547 229.9
[M]- 481.26657 229.9
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

patents stripe