CID 2785216

1519-45-5

Structural Information

Molecular Formula
C38H34P2
SMILES
C1=CC=C(C=C1)[P+](CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H34P2/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/h1-30H,31-32H2/q+2
InChIKey
QPUSETZNLGIEOG-UHFFFAOYSA-N
Compound name
triphenyl(2-triphenylphosphaniumylethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

188
Patents

552.21356 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.22084 255.9
[M+Na]+ 575.20278 253.2
[M-H]- 551.20628 267.3
[M+NH4]+ 570.24738 256.3
[M+K]+ 591.17672 234.5
[M+H-H2O]+ 535.21082 240.3
[M+HCOO]- 597.21176 278.0
[M+CH3COO]- 611.22741 238.8
[M+Na-2H]- 573.18823 255.7
[M]+ 552.21301 247.1
[M]- 552.21411 247.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe