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 160.5
[M+Na]+ 294.08657 166.0
[M-H]- 270.09007 163.3
[M+NH4]+ 289.13117 176.7
[M+K]+ 310.06051 161.5
[M+H-H2O]+ 254.09461 157.1
[M+HCOO]- 316.09555 187.6
[M+CH3COO]- 330.11120 194.4
[M+Na-2H]- 292.07202 163.6
[M]+ 271.09680 162.6
[M]- 271.09790 162.6
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.