CID 6104258

Benzyl(2-butenyl)diphenylphosphorane

Structural Information

Molecular Formula
C23H24P
SMILES
C/C=C/C[P+](CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H24P/c1-2-3-19-24(22-15-9-5-10-16-22,23-17-11-6-12-18-23)20-21-13-7-4-8-14-21/h2-18H,19-20H2,1H3/q+1/b3-2+
InChIKey
BHTORTGZPSXZFT-NSCUHMNNSA-N
Compound name
benzyl-[(E)-but-2-enyl]-diphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.16156 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.168836 190.2
[M+Na]+ 354.150778 193.9
[M-H]- 330.154284 197.5
[M+NH4]+ 349.195383 203.1
[M+K]+ 370.124718 181.6
[M+H-H2O]+ 314.158820 180.9
[M+HCOO]- 376.159761 215.6
[M+CH3COO]- 390.175411 204.4
[M+Na-2H]- 352.136226 193.7
[M]+ 331.16101142 187.9
[M]- 331.16210858 187.9
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

No patent data available for this compound.