CID 81703

P-nitrophenyl diisopropylphosphinate

Structural Information

Molecular Formula
C12H18NO4P
SMILES
CC(C)P(=O)(C(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H18NO4P/c1-9(2)18(16,10(3)4)17-12-7-5-11(6-8-12)13(14)15/h5-10H,1-4H3
InChIKey
XFIKDXPDSQXPOI-UHFFFAOYSA-N
Compound name
1-di(propan-2-yl)phosphoryloxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09735 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10463 157.5
[M+Na]+ 294.08657 168.0
[M+NH4]+ 289.13117 163.6
[M+K]+ 310.06051 167.0
[M-H]- 270.09007 158.5
[M+Na-2H]- 292.07202 161.4
[M]+ 271.09680 158.9
[M]- 271.09790 158.9
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.