CID 130626

Diphenyl-1-pyrenylphosphine

Structural Information

Molecular Formula
C28H19P
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3
InChI
InChI=1S/C28H19P/c1-3-10-23(11-4-1)29(24-12-5-2-6-13-24)26-19-17-22-15-14-20-8-7-9-21-16-18-25(26)28(22)27(20)21/h1-19H
InChIKey
DSYGKYCYNVHCNQ-UHFFFAOYSA-N
Compound name
diphenyl(pyren-1-yl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

258
Patents

386.12244 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12972 197.0
[M+Na]+ 409.11166 203.0
[M-H]- 385.11516 205.5
[M+NH4]+ 404.15626 210.5
[M+K]+ 425.08560 194.7
[M+H-H2O]+ 369.11970 182.3
[M+HCOO]- 431.12064 219.3
[M+CH3COO]- 445.13629 205.6
[M+Na-2H]- 407.09711 199.9
[M]+ 386.12189 197.2
[M]- 386.12299 197.2
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