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]+ 332.16884 190.2
[M+Na]+ 354.15078 193.9
[M-H]- 330.15428 197.5
[M+NH4]+ 349.19538 203.1
[M+K]+ 370.12472 181.6
[M+H-H2O]+ 314.15882 180.9
[M+HCOO]- 376.15976 215.6
[M+CH3COO]- 390.17541 204.4
[M+Na-2H]- 352.13623 193.7
[M]+ 331.16101 187.9
[M]- 331.16211 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.