CID 12548616

2-phenoxybenzonitrile

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2C#N
InChI
InChI=1S/C13H9NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H
InChIKey
BNVCOVNARIQBEO-UHFFFAOYSA-N
Compound name
2-phenoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

195.06842 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.075696 144.8
[M+Na]+ 218.057638 155.4
[M-H]- 194.061144 150.4
[M+NH4]+ 213.102243 162.0
[M+K]+ 234.031578 150.0
[M+H-H2O]+ 178.065680 131.4
[M+HCOO]- 240.066621 165.9
[M+CH3COO]- 254.082271 156.9
[M+Na-2H]- 216.043086 151.7
[M]+ 195.06787142 140.1
[M]- 195.06896858 140.1
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