CID 56926209

Schembl97530

Structural Information

Molecular Formula
C26H20O4P2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3P(=O)(O2)CCP4(=O)C5=CC=CC=C5C6=CC=CC=C6O4
InChI
InChI=1S/C26H20O4P2/c27-31(25-15-7-3-11-21(25)19-9-1-5-13-23(19)29-31)17-18-32(28)26-16-8-4-12-22(26)20-10-2-6-14-24(20)30-32/h1-16H,17-18H2
InChIKey
CJBHHDMIIHPTRN-UHFFFAOYSA-N
Compound name
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

458.08368 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.09096 211.8
[M+Na]+ 481.07290 219.8
[M-H]- 457.07640 219.8
[M+NH4]+ 476.11750 224.6
[M+K]+ 497.04684 216.4
[M+H-H2O]+ 441.08094 192.8
[M+HCOO]- 503.08188 234.7
[M+CH3COO]- 517.09753 219.8
[M+Na-2H]- 479.05835 212.8
[M]+ 458.08313 213.1
[M]- 458.08423 213.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.