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

13
Patents

550.19794 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.205216 255.4
[M+Na]+ 573.187158 253.1
[M-H]- 549.190664 266.9
[M+NH4]+ 568.231763 255.9
[M+K]+ 589.161098 233.9
[M+H-H2O]+ 533.195200 239.9
[M+HCOO]- 595.196141 277.8
[M+CH3COO]- 609.211791 237.3
[M+Na-2H]- 571.172606 255.2
[M]+ 550.19739142 245.9
[M]- 550.19848858 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.