CID 6463091

2-(phenoxymethyl)benzonitrile

Structural Information

Molecular Formula
C14H11NO
SMILES
C1=CC=C(C=C1)OCC2=CC=CC=C2C#N
InChI
InChI=1S/C14H11NO/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h1-9H,11H2
InChIKey
RFZUYPHTPWGIJU-UHFFFAOYSA-N
Compound name
2-(phenoxymethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

209.08406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 148.8
[M+Na]+ 232.07328 159.0
[M-H]- 208.07678 154.2
[M+NH4]+ 227.11788 165.5
[M+K]+ 248.04722 153.4
[M+H-H2O]+ 192.08132 135.2
[M+HCOO]- 254.08226 169.6
[M+CH3COO]- 268.09791 198.1
[M+Na-2H]- 230.05873 155.3
[M]+ 209.08351 144.4
[M]- 209.08461 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe