CID 3600181

4-methoxy-3-nitrophenyl phenyl ketone

Structural Information

Molecular Formula
C14H11NO4
SMILES
COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO4/c1-19-13-8-7-11(9-12(13)15(17)18)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
PDAVXJYHYUUFEY-UHFFFAOYSA-N
Compound name
(4-methoxy-3-nitrophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe