CID 514844

Benzonitrile, 2-(3-methoxyphenoxy)-5-nitro-

Structural Information

Molecular Formula
C14H10N2O4
SMILES
COC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C14H10N2O4/c1-19-12-3-2-4-13(8-12)20-14-6-5-11(16(17)18)7-10(14)9-15/h2-8H,1H3
InChIKey
AGCPOYBCAIEKMA-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenoxy)-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

270.06406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 165.5
[M+Na]+ 293.05328 175.0
[M-H]- 269.05678 171.1
[M+NH4]+ 288.09788 179.0
[M+K]+ 309.02722 167.3
[M+H-H2O]+ 253.06132 155.3
[M+HCOO]- 315.06226 186.9
[M+CH3COO]- 329.07791 203.4
[M+Na-2H]- 291.03873 170.9
[M]+ 270.06351 161.6
[M]- 270.06461 161.6
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.