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]+ 291.07643 174.7
[M+Na]+ 313.05837 184.6
[M-H]- 289.06187 180.5
[M+NH4]+ 308.10297 188.1
[M+K]+ 329.03231 173.7
[M+H-H2O]+ 273.06641 164.1
[M+HCOO]- 335.06735 194.6
[M+CH3COO]- 349.08300 207.6
[M+Na-2H]- 311.04382 181.0
[M]+ 290.06860 169.2
[M]- 290.06970 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.