CID 6260806

54770-27-3

Structural Information

Molecular Formula
C38H32P2
SMILES
C1=CC=C(C=C1)[P+](/C=C/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H32P2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H/q+2/b32-31+
InChIKey
RDEJKVICRYZPGQ-QNEJGDQOSA-N
Compound name
triphenyl-[(E)-2-triphenylphosphaniumylethenyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

550.19794 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.20522 255.4
[M+Na]+ 573.18716 253.1
[M-H]- 549.19066 266.9
[M+NH4]+ 568.23176 255.9
[M+K]+ 589.16110 233.9
[M+H-H2O]+ 533.19520 239.9
[M+HCOO]- 595.19614 277.8
[M+CH3COO]- 609.21179 237.3
[M+Na-2H]- 571.17261 255.2
[M]+ 550.19739 245.9
[M]- 550.19849 245.9
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.