CID 73090499

Dtxsid201164312

Structural Information

Molecular Formula
C33H38P
SMILES
CC(=CCCC(=CC=CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C33H38P/c1-28(2)16-14-17-29(3)18-15-19-30(4)26-27-34(31-20-8-5-9-21-31,32-22-10-6-11-23-32)33-24-12-7-13-25-33/h5-13,15-16,18-26H,14,17,27H2,1-4H3/q+1
InChIKey
OWUJMRYOLTVQND-UHFFFAOYSA-N
Compound name
triphenyl(3,7,11-trimethyldodeca-2,4,6,10-tetraenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

465.27112 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.27840 231.8
[M+Na]+ 488.26034 231.2
[M-H]- 464.26384 237.4
[M+NH4]+ 483.30494 238.8
[M+K]+ 504.23428 216.5
[M+H-H2O]+ 448.26838 221.2
[M+HCOO]- 510.26932 251.2
[M+CH3COO]- 524.28497 230.7
[M+Na-2H]- 486.24579 226.7
[M]+ 465.27057 228.6
[M]- 465.27167 228.6
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

patents stripe