CID 3736671

199796-91-3

Structural Information

Molecular Formula
C32H23OP
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)O
InChI
InChI=1S/C32H23OP/c33-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)34(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,33H
InChIKey
LWZAKMZAVUALLD-UHFFFAOYSA-N
Compound name
1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

71
Patents

454.14865 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.15593 215.9
[M+Na]+ 477.13787 221.4
[M-H]- 453.14137 226.3
[M+NH4]+ 472.18247 224.0
[M+K]+ 493.11181 212.4
[M+H-H2O]+ 437.14591 200.3
[M+HCOO]- 499.14685 237.8
[M+CH3COO]- 513.16250 222.9
[M+Na-2H]- 475.12332 215.3
[M]+ 454.14810 213.5
[M]- 454.14920 213.5
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