CID 494100

Nsc116668

Structural Information

Molecular Formula
C30H26P
SMILES
CC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C30H26P/c1-24-19-21-28(22-20-24)31(27-15-6-3-7-16-27,23-25-11-4-2-5-12-25)30-18-10-14-26-13-8-9-17-29(26)30/h2-22H,23H2,1H3/q+1
InChIKey
OEWMRBAWKBJELS-UHFFFAOYSA-N
Compound name
benzyl-(4-methylphenyl)-naphthalen-1-yl-phenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.17722 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18450 214.8
[M+Na]+ 440.16644 218.5
[M-H]- 416.16994 225.4
[M+NH4]+ 435.21104 224.1
[M+K]+ 456.14038 204.8
[M+H-H2O]+ 400.17448 202.5
[M+HCOO]- 462.17542 237.2
[M+CH3COO]- 476.19107 222.7
[M+Na-2H]- 438.15189 217.3
[M]+ 417.17667 211.0
[M]- 417.17777 211.0
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.