CID 885329

2-[(4-formylphenoxy)methyl]benzonitrile

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=O)C#N
InChI
InChI=1S/C15H11NO2/c16-9-13-3-1-2-4-14(13)11-18-15-7-5-12(10-17)6-8-15/h1-8,10H,11H2
InChIKey
LKQUWXAECCEVJJ-UHFFFAOYSA-N
Compound name
2-[(4-formylphenoxy)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.07898 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 155.3
[M+Na]+ 260.06820 166.0
[M-H]- 236.07170 160.9
[M+NH4]+ 255.11280 171.0
[M+K]+ 276.04214 160.3
[M+H-H2O]+ 220.07624 141.5
[M+HCOO]- 282.07718 176.1
[M+CH3COO]- 296.09283 202.9
[M+Na-2H]- 258.05365 160.5
[M]+ 237.07843 152.1
[M]- 237.07953 152.1
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