CID 29143

Bis(3-nitrophenyl)phosphinic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
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 171.3
[M+Na]+ 331.00906 178.0
[M+NH4]+ 326.05366 180.8
[M+K]+ 346.98300 187.2
[M-H]- 307.01256 168.7
[M+Na-2H]- 328.99451 171.3
[M]+ 308.01929 174.0
[M]- 308.02039 174.0
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