CID 511929

Schembl6182486

Structural Information

Molecular Formula
C18H12N2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H12N2O4/c21-18(13-4-2-1-3-5-13)14-6-9-16(10-7-14)24-17-11-8-15(12-19-17)20(22)23/h1-12H
InChIKey
MAMPOAGZINFIJC-UHFFFAOYSA-N
Compound name
[4-(5-nitropyridin-2-yl)oxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

320.0797 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08698 172.1
[M+Na]+ 343.06892 177.5
[M-H]- 319.07242 180.4
[M+NH4]+ 338.11352 182.8
[M+K]+ 359.04286 169.5
[M+H-H2O]+ 303.07696 166.0
[M+HCOO]- 365.07790 195.3
[M+CH3COO]- 379.09355 200.6
[M+Na-2H]- 341.05437 179.1
[M]+ 320.07915 171.0
[M]- 320.08025 171.0
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

No patent data available for this compound.