CID 4606109

62546-89-8

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 225.0
[M+Na]+ 504.25524 242.7
[M+NH4]+ 499.29984 233.7
[M+K]+ 520.22918 233.5
[M-H]- 480.25874 234.8
[M+Na-2H]- 502.24069 238.0
[M]+ 481.26547 231.3
[M]- 481.26657 231.3
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