CID 494040

(3-methylbenzyl)triphenylphosphonium chloride

Structural Information

Molecular Formula
C26H24P
SMILES
CC1=CC(=CC=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24P/c1-22-12-11-13-23(20-22)21-27(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-20H,21H2,1H3/q+1
InChIKey
XKZWSRYFZIVDSZ-UHFFFAOYSA-N
Compound name
(3-methylphenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68494
Patents

367.16156 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16884 191.9
[M+Na]+ 390.15078 212.3
[M+NH4]+ 385.19538 203.2
[M+K]+ 406.12472 200.8
[M-H]- 366.15428 203.9
[M+Na-2H]- 388.13623 208.2
[M]+ 367.16101 199.2
[M]- 367.16211 199.2
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