CID 21288517

3-(phenoxymethyl)benzaldehyde

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C(C=C1)OCC2=CC(=CC=C2)C=O
InChI
InChI=1S/C14H12O2/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h1-10H,11H2
InChIKey
KZUJGQAFTCDBKA-UHFFFAOYSA-N
Compound name
3-(phenoxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 145.0
[M+Na]+ 235.072938 152.8
[M-H]- 211.076444 151.8
[M+NH4]+ 230.117543 163.5
[M+K]+ 251.046878 149.4
[M+H-H2O]+ 195.080980 137.7
[M+HCOO]- 257.081921 170.1
[M+CH3COO]- 271.097571 186.4
[M+Na-2H]- 233.058386 152.4
[M]+ 212.08317142 146.6
[M]- 212.08426858 146.6
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