CID 70672

Benzyltriphenylphosphonium

Structural Information

Molecular Formula
C25H22P
SMILES
C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1
InChIKey
BNQRPLGZFADFGA-UHFFFAOYSA-N
Compound name
benzyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

15178
Patents

353.1459 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15318 195.1
[M+Na]+ 376.13512 198.4
[M-H]- 352.13862 205.0
[M+NH4]+ 371.17972 206.0
[M+K]+ 392.10906 185.9
[M+H-H2O]+ 336.14316 184.3
[M+HCOO]- 398.14410 220.1
[M+CH3COO]- 412.15975 208.3
[M+Na-2H]- 374.12057 199.3
[M]+ 353.14535 190.9
[M]- 353.14645 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe