CID 95166

Phosphinic acid, (p-nitrophenyl)phenyl-

Structural Information

Molecular Formula
C12H10NO4P
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H10NO4P/c14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-9H,(H,16,17)
InChIKey
CNYJITNRCDYLCI-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.03476 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04204 154.5
[M+Na]+ 286.02398 160.6
[M-H]- 262.02748 159.2
[M+NH4]+ 281.06858 169.6
[M+K]+ 301.99792 153.7
[M+H-H2O]+ 246.03202 149.9
[M+HCOO]- 308.03296 183.1
[M+CH3COO]- 322.04861 186.1
[M+Na-2H]- 284.00943 161.5
[M]+ 263.03421 152.9
[M]- 263.03531 152.9
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