CID 4739207

4-(4-methylphenoxy)benzaldehyde

Structural Information

Molecular Formula
C14H12O2
SMILES
CC1=CC=C(C=C1)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H12O2/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChIKey
CKNIKWIWRIHFSJ-UHFFFAOYSA-N
Compound name
4-(4-methylphenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

212.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 145.8
[M+Na]+ 235.07294 161.8
[M+NH4]+ 230.11754 155.2
[M+K]+ 251.04688 153.3
[M-H]- 211.07644 150.9
[M+Na-2H]- 233.05839 156.3
[M]+ 212.08317 149.7
[M]- 212.08427 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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