CID 202016

Diisobutylphosphinic acid p-nitrophenyl ester

Structural Information

Molecular Formula
C14H22NO4P
SMILES
CC(C)CP(=O)(CC(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H22NO4P/c1-11(2)9-20(18,10-12(3)4)19-14-7-5-13(6-8-14)15(16)17/h5-8,11-12H,9-10H2,1-4H3
InChIKey
BRMNTJKJHLCTNZ-UHFFFAOYSA-N
Compound name
1-[bis(2-methylpropyl)phosphoryloxy]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12863 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13591 166.3
[M+Na]+ 322.11785 176.5
[M+NH4]+ 317.16245 172.1
[M+K]+ 338.09179 175.0
[M-H]- 298.12135 167.3
[M+Na-2H]- 320.10330 169.8
[M]+ 299.12808 167.7
[M]- 299.12918 167.7
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.