CID 95165

(m-nitrophenyl)phenylphosphinic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.