CID 494102

Nsc116688

Structural Information

Molecular Formula
C30H26OP
SMILES
COC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C30H26OP/c1-31-27-17-20-29(21-18-27)32(28-14-6-3-7-15-28,23-24-10-4-2-5-11-24)30-19-16-25-12-8-9-13-26(25)22-30/h2-22H,23H2,1H3/q+1
InChIKey
DEIZCWJWFFAETN-UHFFFAOYSA-N
Compound name
benzyl-(4-methoxyphenyl)-naphthalen-2-yl-phenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.17212 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17940 218.3
[M+Na]+ 456.16134 221.8
[M-H]- 432.16484 228.9
[M+NH4]+ 451.20594 226.8
[M+K]+ 472.13528 208.9
[M+H-H2O]+ 416.16938 205.7
[M+HCOO]- 478.17032 240.9
[M+CH3COO]- 492.18597 224.6
[M+Na-2H]- 454.14679 221.1
[M]+ 433.17157 215.8
[M]- 433.17267 215.8
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

No patent data available for this compound.