CID 2734114

(1-naphthylmethyl)triphenylphosphonium chloride

Structural Information

Molecular Formula
C29H24P
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H24P/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25/h1-22H,23H2/q+1
InChIKey
WWJNUWSDOVCDTN-UHFFFAOYSA-N
Compound name
naphthalen-1-ylmethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

402
Patents

403.16156 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16884 209.8
[M+Na]+ 426.15078 213.1
[M-H]- 402.15428 220.2
[M+NH4]+ 421.19538 219.4
[M+K]+ 442.12472 199.5
[M+H-H2O]+ 386.15882 197.7
[M+HCOO]- 448.15976 232.6
[M+CH3COO]- 462.17541 218.8
[M+Na-2H]- 424.13623 213.6
[M]+ 403.16101 205.4
[M]- 403.16211 205.4
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