CID 368373

Nsc639235

Structural Information

Molecular Formula
C28H22N2P2
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=NN=C(C=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H22N2P2/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)27-21-22-28(30-29-27)32(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKey
QCVGIVMMOZIENF-UHFFFAOYSA-N
Compound name
(6-diphenylphosphanylpyridazin-3-yl)-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.12582 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.13310 211.6
[M+Na]+ 471.11504 212.8
[M-H]- 447.11854 219.4
[M+NH4]+ 466.15964 215.2
[M+K]+ 487.08898 205.1
[M+H-H2O]+ 431.12308 192.0
[M+HCOO]- 493.12402 237.5
[M+CH3COO]- 507.13967 217.0
[M+Na-2H]- 469.10049 206.3
[M]+ 448.12527 206.3
[M]- 448.12637 206.3
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

No patent data available for this compound.