CID 9212464

1-(4-(2-nitrophenoxy)phenyl)ethanone

Structural Information

Molecular Formula
C14H11NO4
SMILES
CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H11NO4/c1-10(16)11-6-8-12(9-7-11)19-14-5-3-2-4-13(14)15(17)18/h2-9H,1H3
InChIKey
LMJUIIVLTHMZRA-UHFFFAOYSA-N
Compound name
1-[4-(2-nitrophenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

257.06882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 154.4
[M+Na]+ 280.05804 169.3
[M+NH4]+ 275.10264 162.3
[M+K]+ 296.03198 165.3
[M-H]- 256.06154 159.6
[M+Na-2H]- 278.04349 163.1
[M]+ 257.06827 157.9
[M]- 257.06937 157.9
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

patents stripe