CID 220000

Phosphinic acid, bis(p-nitrophenyl)-

Structural Information

Molecular Formula
C12H9N2O6P
SMILES
C1=CC(=CC=C1[N+](=O)[O-])P(=O)(C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H9N2O6P/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
InChIKey
UGYSJJVSXHEHDR-UHFFFAOYSA-N
Compound name
bis(4-nitrophenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.01984 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02712 161.8
[M+Na]+ 331.00906 166.4
[M-H]- 307.01256 166.7
[M+NH4]+ 326.05366 173.7
[M+K]+ 346.98300 156.2
[M+H-H2O]+ 291.01710 161.2
[M+HCOO]- 353.01804 190.3
[M+CH3COO]- 367.03369 189.3
[M+Na-2H]- 328.99451 171.1
[M]+ 308.01929 158.8
[M]- 308.02039 158.8
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.