CID 2733555

(4-fluorobenzyl)triphenylphosphonium chloride

Structural Information

Molecular Formula
C25H21FP
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)F)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21FP/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
InChIKey
DOAQDNJTIRZRTH-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

496
Patents

371.1365 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14378 198.6
[M+Na]+ 394.12572 202.9
[M-H]- 370.12922 207.5
[M+NH4]+ 389.17032 209.0
[M+K]+ 410.09966 189.9
[M+H-H2O]+ 354.13376 186.8
[M+HCOO]- 416.13470 222.6
[M+CH3COO]- 430.15035 211.8
[M+Na-2H]- 392.11117 201.5
[M]+ 371.13595 193.8
[M]- 371.13705 193.8
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