CID 514857

Benzonitrile, 2-(1-naphthalenyloxy)-5-nitro-

Structural Information

Molecular Formula
C17H10N2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2OC3=C(C=C(C=C3)[N+](=O)[O-])C#N
InChI
InChI=1S/C17H10N2O3/c18-11-13-10-14(19(20)21)8-9-16(13)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H
InChIKey
AEOPMVYKSHXOSS-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yloxy-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.06915 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.076426 174.7
[M+Na]+ 313.058368 184.6
[M-H]- 289.061874 180.5
[M+NH4]+ 308.102973 188.1
[M+K]+ 329.032308 173.7
[M+H-H2O]+ 273.066410 164.1
[M+HCOO]- 335.067351 194.6
[M+CH3COO]- 349.083001 207.6
[M+Na-2H]- 311.043816 181.0
[M]+ 290.06860142 169.2
[M]- 290.06969858 169.2
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.