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

1
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

patents stripe