CID 426555

Nsc194269

Structural Information

Molecular Formula
C25H22O2P2
SMILES
C1=CC=C(C=C1)P(=O)(CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H22O2P2/c26-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-29(27,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKey
ARXYMFXVRNKEAQ-UHFFFAOYSA-N
Compound name
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
Patents

416.1095 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11678 205.0
[M+Na]+ 439.09872 208.3
[M-H]- 415.10222 213.6
[M+NH4]+ 434.14332 213.8
[M+K]+ 455.07266 202.2
[M+H-H2O]+ 399.10676 189.0
[M+HCOO]- 461.10770 234.1
[M+CH3COO]- 475.12335 224.2
[M+Na-2H]- 437.08417 204.7
[M]+ 416.10895 202.9
[M]- 416.11005 202.9
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