CID 347772

1151-94-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

68
Patents

257.06882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.076096 155.2
[M+Na]+ 280.058038 161.8
[M-H]- 256.061544 162.2
[M+NH4]+ 275.102643 170.8
[M+K]+ 296.031978 155.4
[M+H-H2O]+ 240.066080 152.1
[M+HCOO]- 302.067021 180.2
[M+CH3COO]- 316.082671 189.7
[M+Na-2H]- 278.043486 161.6
[M]+ 257.06827142 155.3
[M]- 257.06936858 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