CID 165113

3384-91-6

Structural Information

Molecular Formula
C16H18NO5P
SMILES
CCOP(=O)(CCC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H18NO5P/c1-2-21-23(20,13-12-14-6-4-3-5-7-14)22-16-10-8-15(9-11-16)17(18)19/h3-11H,2,12-13H2,1H3
InChIKey
RUYWTRNGKOALDY-UHFFFAOYSA-N
Compound name
1-[ethoxy(2-phenylethyl)phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.09225 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09953 177.1
[M+Na]+ 358.08147 181.6
[M-H]- 334.08497 182.4
[M+NH4]+ 353.12607 189.8
[M+K]+ 374.05541 175.4
[M+H-H2O]+ 318.08951 171.0
[M+HCOO]- 380.09045 205.9
[M+CH3COO]- 394.10610 203.1
[M+Na-2H]- 356.06692 182.7
[M]+ 335.09170 179.9
[M]- 335.09280 179.9
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.