CID 433891

Nsc 339576

Structural Information

Molecular Formula
C36H42P2
SMILES
CC1(CC[P+](C2=CC=CC=C21)(CC[P+]3(CCC(C4=CC=CC=C43)(C)C)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C36H42P2/c1-35(2)23-25-37(29-15-7-5-8-16-29,33-21-13-11-19-31(33)35)27-28-38(30-17-9-6-10-18-30)26-24-36(3,4)32-20-12-14-22-34(32)38/h5-22H,23-28H2,1-4H3/q+2
InChIKey
KLUCKMHWAYOZEV-UHFFFAOYSA-N
Compound name
1-[2-(4,4-dimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium-1-yl)ethyl]-4,4-dimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.2762 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.28348 248.2
[M+Na]+ 559.26542 250.8
[M-H]- 535.26892 257.5
[M+NH4]+ 554.31002 260.8
[M+K]+ 575.23936 232.8
[M+H-H2O]+ 519.27346 230.6
[M+HCOO]- 581.27440 267.5
[M+CH3COO]- 595.29005 239.2
[M+Na-2H]- 557.25087 245.6
[M]+ 536.27565 241.1
[M]- 536.27675 241.1
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.