CID 81701

7284-58-4

Structural Information

Molecular Formula
C11H16NO5P
SMILES
CCP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C
InChI
InChI=1S/C11H16NO5P/c1-4-18(15,16-9(2)3)17-11-7-5-10(6-8-11)12(13)14/h5-9H,4H2,1-3H3
InChIKey
SKCQHKZCRLKONK-UHFFFAOYSA-N
Compound name
1-[ethyl(propan-2-yloxy)phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.0766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08388 159.4
[M+Na]+ 296.06582 165.3
[M-H]- 272.06932 162.2
[M+NH4]+ 291.11042 175.4
[M+K]+ 312.03976 161.1
[M+H-H2O]+ 256.07386 155.7
[M+HCOO]- 318.07480 187.9
[M+CH3COO]- 332.09045 192.8
[M+Na-2H]- 294.05127 164.3
[M]+ 273.07605 163.0
[M]- 273.07715 163.0
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

patents stripe