CID 71306528

3-(4,4,5,5-tetramethyl-1,3,2-dioxaboratophenyl)-methyl triphenylphosphonium bromide

Structural Information

Molecular Formula
C31H33BO2P
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H33BO2P/c1-30(2)31(3,4)34-32(33-30)26-16-14-15-25(23-26)24-35(27-17-8-5-9-18-27,28-19-10-6-11-20-28)29-21-12-7-13-22-29/h5-23H,24H2,1-4H3/q+1
InChIKey
RLEZOFQRNWFDFB-UHFFFAOYSA-N
Compound name
triphenyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.2311 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.23838 228.1
[M+Na]+ 502.22032 232.4
[M-H]- 478.22382 243.0
[M+NH4]+ 497.26492 237.4
[M+K]+ 518.19426 223.6
[M+H-H2O]+ 462.22836 216.5
[M+HCOO]- 524.22930 248.7
[M+CH3COO]- 538.24495 230.8
[M+Na-2H]- 500.20577 228.0
[M]+ 479.23055 227.0
[M]- 479.23165 227.0
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.