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

8
Patents

223.06332 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.070596 151.3
[M+Na]+ 246.052538 162.4
[M-H]- 222.056044 157.1
[M+NH4]+ 241.097143 167.5
[M+K]+ 262.026478 156.9
[M+H-H2O]+ 206.060580 137.7
[M+HCOO]- 268.061521 172.4
[M+CH3COO]- 282.077171 200.2
[M+Na-2H]- 244.037986 157.0
[M]+ 223.06277142 147.8
[M]- 223.06386858 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