CID 135484759

Nsc85764

Structural Information

Molecular Formula
C24H22P
SMILES
C1C=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22P/c1-4-14-22(15-5-1)25(20-21-12-10-11-13-21,23-16-6-2-7-17-23)24-18-8-3-9-19-24/h1-10,12-19H,11,20H2/q+1
InChIKey
OSYMQPPLYZSPRV-UHFFFAOYSA-N
Compound name
cyclopenta-1,4-dien-1-ylmethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1459 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15318 190.9
[M+Na]+ 364.13512 194.6
[M-H]- 340.13862 201.4
[M+NH4]+ 359.17972 204.4
[M+K]+ 380.10906 182.6
[M+H-H2O]+ 324.14316 181.2
[M+HCOO]- 386.14410 217.4
[M+CH3COO]- 400.15975 205.1
[M+Na-2H]- 362.12057 193.2
[M]+ 341.14535 187.4
[M]- 341.14645 187.4
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

No patent data available for this compound.