CID 514848

Benzonitrile, 2-(4-cyanophenoxy)-5-nitro-

Structural Information

Molecular Formula
C14H7N3O3
SMILES
C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C14H7N3O3/c15-8-10-1-4-13(5-2-10)20-14-6-3-12(17(18)19)7-11(14)9-16/h1-7H
InChIKey
GDEQYZSMFVWLKF-UHFFFAOYSA-N
Compound name
2-(4-cyanophenoxy)-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.04874 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05602 176.9
[M+Na]+ 288.03796 186.6
[M-H]- 264.04146 181.1
[M+NH4]+ 283.08256 186.5
[M+K]+ 304.01190 178.6
[M+H-H2O]+ 248.04600 163.3
[M+HCOO]- 310.04694 190.1
[M+CH3COO]- 324.06259 220.7
[M+Na-2H]- 286.02341 178.4
[M]+ 265.04819 168.2
[M]- 265.04929 168.2
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

No patent data available for this compound.