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

31
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 251.5
[M+Na]+ 561.18716 249.3
[M-H]- 537.19066 263.1
[M+NH4]+ 556.23176 252.4
[M+K]+ 577.16110 230.8
[M+H-H2O]+ 521.19520 236.2
[M+HCOO]- 583.19614 274.0
[M+CH3COO]- 597.21179 236.2
[M+Na-2H]- 559.17261 251.8
[M]+ 538.19739 242.4
[M]- 538.19849 242.4
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