CID 29274750

4-(naphthalen-1-yloxy)benzonitrile

Structural Information

Molecular Formula
C17H11NO
SMILES
C1=CC=C2C(=C1)C=CC=C2OC3=CC=C(C=C3)C#N
InChI
InChI=1S/C17H11NO/c18-12-13-8-10-15(11-9-13)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H
InChIKey
VNBNEQQFOAFZLG-UHFFFAOYSA-N
Compound name
4-naphthalen-1-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08406 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09134 160.4
[M+Na]+ 268.07328 171.9
[M-H]- 244.07678 166.4
[M+NH4]+ 263.11788 176.6
[M+K]+ 284.04722 163.6
[M+H-H2O]+ 228.08132 146.4
[M+HCOO]- 290.08226 179.9
[M+CH3COO]- 304.09791 171.5
[M+Na-2H]- 266.05873 167.1
[M]+ 245.08351 155.9
[M]- 245.08461 155.9
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.