CID 494098

Benzyl(tris(4-methylphenyl))phosphorane

Structural Information

Molecular Formula
C28H28P
SMILES
CC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C28H28P/c1-22-9-15-26(16-10-22)29(21-25-7-5-4-6-8-25,27-17-11-23(2)12-18-27)28-19-13-24(3)14-20-28/h4-20H,21H2,1-3H3/q+1
InChIKey
ZROASVPJQVWUEM-UHFFFAOYSA-N
Compound name
benzyl-tris(4-methylphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

395.19287 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20015 208.7
[M+Na]+ 418.18209 213.4
[M-H]- 394.18559 219.3
[M+NH4]+ 413.22669 218.9
[M+K]+ 434.15603 200.5
[M+H-H2O]+ 378.19013 197.5
[M+HCOO]- 440.19107 232.8
[M+CH3COO]- 454.20672 220.0
[M+Na-2H]- 416.16754 209.4
[M]+ 395.19232 206.7
[M]- 395.19342 206.7
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

patents stripe