CID 635008

1,3-bis(diphenylphosphino)benzene

Structural Information

Molecular Formula
C30H24P2
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H24P2/c1-5-14-25(15-6-1)31(26-16-7-2-8-17-26)29-22-13-23-30(24-29)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24H
InChIKey
FPTBDONGKDQGOT-UHFFFAOYSA-N
Compound name
(3-diphenylphosphanylphenyl)-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

113
Patents

446.1353 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14258 214.6
[M+Na]+ 469.12452 215.6
[M-H]- 445.12802 224.8
[M+NH4]+ 464.16912 221.2
[M+K]+ 485.09846 207.9
[M+H-H2O]+ 429.13256 196.7
[M+HCOO]- 491.13350 242.7
[M+CH3COO]- 505.14915 220.7
[M+Na-2H]- 467.10997 207.8
[M]+ 446.13475 209.5
[M]- 446.13585 209.5
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