CID 28603985

2-(4-formylphenoxy)benzonitrile

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C(C(=C1)C#N)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H9NO2/c15-9-12-3-1-2-4-14(12)17-13-7-5-11(10-16)6-8-13/h1-8,10H
InChIKey
ZKGXIIJBXOXTIM-UHFFFAOYSA-N
Compound name
2-(4-formylphenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

223.06332 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 151.3
[M+Na]+ 246.05254 162.4
[M-H]- 222.05604 157.1
[M+NH4]+ 241.09714 167.5
[M+K]+ 262.02648 156.9
[M+H-H2O]+ 206.06058 137.7
[M+HCOO]- 268.06152 172.4
[M+CH3COO]- 282.07717 200.2
[M+Na-2H]- 244.03799 157.0
[M]+ 223.06277 147.8
[M]- 223.06387 147.8
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