CID 494240

81194-91-4

Structural Information

Molecular Formula
C37H44P2
SMILES
CC(=CC[P+](CCC[P+](CC=C(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C37H44P2/c1-32(2)26-30-38(34-18-9-5-10-19-34,35-20-11-6-12-21-35)28-17-29-39(31-27-33(3)4,36-22-13-7-14-23-36)37-24-15-8-16-25-37/h5-16,18-27H,17,28-31H2,1-4H3/q+2
InChIKey
RNDLULDSMHIYDR-UHFFFAOYSA-N
Compound name
3-methylbut-2-enyl-[3-[3-methylbut-2-enyl(diphenyl)phosphaniumyl]propyl]-diphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.2918 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.29908 259.6
[M+Na]+ 573.28102 256.5
[M-H]- 549.28452 266.3
[M+NH4]+ 568.32562 262.2
[M+K]+ 589.25496 237.5
[M+H-H2O]+ 533.28906 247.1
[M+HCOO]- 595.29000 280.8
[M+CH3COO]- 609.30565 241.1
[M+Na-2H]- 571.26647 255.7
[M]+ 550.29125 255.1
[M]- 550.29235 255.1
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.