CID 238604

75919-92-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

126
Patents

257.06882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 155.2
[M+Na]+ 280.05804 161.8
[M-H]- 256.06154 162.2
[M+NH4]+ 275.10264 170.8
[M+K]+ 296.03198 155.4
[M+H-H2O]+ 240.06608 152.1
[M+HCOO]- 302.06702 180.2
[M+CH3COO]- 316.08267 189.7
[M+Na-2H]- 278.04349 161.6
[M]+ 257.06827 155.3
[M]- 257.06937 155.3
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