CID 3401039

18065-01-5

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H11NO4/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2
InChIKey
NJPUIIJXFYTYRK-UHFFFAOYSA-N
Compound name
2-(2-nitrophenoxy)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

257.06882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 154.6
[M+Na]+ 280.05804 169.2
[M+NH4]+ 275.10264 162.5
[M+K]+ 296.03198 164.9
[M-H]- 256.06154 159.8
[M+Na-2H]- 278.04349 163.6
[M]+ 257.06827 158.1
[M]- 257.06937 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe