CID 209918

20745-95-3

Structural Information

Molecular Formula
C37H32P2
SMILES
C1=CC=C(C=C1)[P+](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/C37H32P2/c1-7-19-32(20-8-1)38(33-21-9-2-10-22-33,34-23-11-3-12-24-34)31-39(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H,31H2/q+2
InChIKey
NNZHWVCYJHRXQF-UHFFFAOYSA-N
Compound name
triphenyl(triphenylphosphaniumylmethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

538.19794 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.20522 234.2
[M+Na]+ 561.18716 256.6
[M+NH4]+ 556.23176 245.3
[M+K]+ 577.16110 244.1
[M-H]- 537.19066 250.7
[M+Na-2H]- 559.17261 253.8
[M]+ 538.19739 243.5
[M]- 538.19849 243.5
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