CID 498193

Nsc 329337

Structural Information

Molecular Formula
C38H46P2
SMILES
CC1(CC[P+](C2=CC=CC=C21)(CCCC[P+]3(CCC(C4=CC=CC=C43)(C)C)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C38H46P2/c1-37(2)25-29-39(31-17-7-5-8-18-31,35-23-13-11-21-33(35)37)27-15-16-28-40(32-19-9-6-10-20-32)30-26-38(3,4)34-22-12-14-24-36(34)40/h5-14,17-24H,15-16,25-30H2,1-4H3/q+2
InChIKey
SUFQYGWHQRFGFI-UHFFFAOYSA-N
Compound name
1-[4-(4,4-dimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium-1-yl)butyl]-4,4-dimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.3075 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.31478 256.8
[M+Na]+ 587.29672 258.5
[M-H]- 563.30022 265.6
[M+NH4]+ 582.34132 268.2
[M+K]+ 603.27066 240.2
[M+H-H2O]+ 547.30476 238.8
[M+HCOO]- 609.30570 275.3
[M+CH3COO]- 623.32135 244.5
[M+Na-2H]- 585.28217 253.2
[M]+ 564.30695 250.2
[M]- 564.30805 250.2
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.