CID 11017510

210169-54-3

Structural Information

Molecular Formula
C38H28O4P2
SMILES
C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C38H28O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25-26H2
InChIKey
RZZDRSHFIVOQAF-UHFFFAOYSA-N
Compound name
[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1479
Patents

610.1463 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.15358 242.8
[M+Na]+ 633.13552 260.7
[M+NH4]+ 628.18012 250.9
[M+K]+ 649.10946 254.2
[M-H]- 609.13902 260.3
[M+Na-2H]- 631.12097 252.1
[M]+ 610.14575 250.8
[M]- 610.14685 250.8
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