CID 498195

Nsc333157

Structural Information

Molecular Formula
C37H44P2
SMILES
CC1(CC[P+](C2=CC=CC=C21)(CCC[P+]3(CCC(C4=CC=CC=C43)(C)C)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C37H44P2/c1-36(2)24-28-38(30-16-7-5-8-17-30,34-22-13-11-20-32(34)36)26-15-27-39(31-18-9-6-10-19-31)29-25-37(3,4)33-21-12-14-23-35(33)39/h5-14,16-23H,15,24-29H2,1-4H3/q+2
InChIKey
UQZXRBHVHKHGPS-UHFFFAOYSA-N
Compound name
1-[3-(4,4-dimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium-1-yl)propyl]-4,4-dimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.2918 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.29908 252.5
[M+Na]+ 573.28102 254.7
[M-H]- 549.28452 261.6
[M+NH4]+ 568.32562 264.5
[M+K]+ 589.25496 236.5
[M+H-H2O]+ 533.28906 234.7
[M+HCOO]- 595.29000 271.4
[M+CH3COO]- 609.30565 241.8
[M+Na-2H]- 571.26647 249.4
[M]+ 550.29125 245.7
[M]- 550.29235 245.7
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.