CID 58555919

1,8-bis(diphenylphosphinyl)naphthalene

Structural Information

Molecular Formula
C34H26O2P2
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC4=C3C(=CC=C4)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H26O2P2/c35-37(28-17-5-1-6-18-28,29-19-7-2-8-20-29)32-25-13-15-27-16-14-26-33(34(27)32)38(36,30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKey
XNKIEKXYLNHGBX-UHFFFAOYSA-N
Compound name
1,8-bis(diphenylphosphoryl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

528.1408 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.14808 234.2
[M+Na]+ 551.13002 236.5
[M-H]- 527.13352 245.4
[M+NH4]+ 546.17462 238.1
[M+K]+ 567.10396 229.1
[M+H-H2O]+ 511.13806 214.9
[M+HCOO]- 573.13900 259.2
[M+CH3COO]- 587.15465 239.2
[M+Na-2H]- 549.11547 231.9
[M]+ 528.14025 229.7
[M]- 528.14135 229.7
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