CID 205782

18596-46-8

Structural Information

Molecular Formula
C37H31P2
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/C37H31P2/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/h1-31H/q+1
InChIKey
NIKIALUOHDUXSY-UHFFFAOYSA-N
Compound name
triphenyl-[(triphenyl-lambda5-phosphanylidene)methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

537.1901 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.19738 245.7
[M+Na]+ 560.17932 244.5
[M-H]- 536.18282 257.4
[M+NH4]+ 555.22392 247.1
[M+K]+ 576.15326 230.2
[M+H-H2O]+ 520.18736 228.1
[M+HCOO]- 582.18830 269.4
[M+CH3COO]- 596.20395 240.4
[M+Na-2H]- 558.16477 243.9
[M]+ 537.18955 236.8
[M]- 537.19065 236.8
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