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

literature stripe

Patent stripe

patents stripe