CID 2756729

1,8-(diphenylphosphino)naphthalene

Structural Information

Molecular Formula
C34H26P2
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3C(=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H26P2/c1-5-17-28(18-6-1)35(29-19-7-2-8-20-29)32-25-13-15-27-16-14-26-33(34(27)32)36(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKey
QOXZKPURCFVBRR-UHFFFAOYSA-N
Compound name
(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

496.15097 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.15825 227.6
[M+Na]+ 519.14019 228.5
[M-H]- 495.14369 238.1
[M+NH4]+ 514.18479 232.7
[M+K]+ 535.11413 220.0
[M+H-H2O]+ 479.14823 208.5
[M+HCOO]- 541.14917 253.2
[M+CH3COO]- 555.16482 232.4
[M+Na-2H]- 517.12564 220.3
[M]+ 496.15042 221.8
[M]- 496.15152 221.8
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