CID 22951104

2-(4-phenoxyphenyl)acetaldehyde

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CC=O
InChI
InChI=1S/C14H12O2/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKey
WIEFWLAWEUALNK-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

212.08372 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 146.3
[M+Na]+ 235.07294 161.9
[M+NH4]+ 230.11754 155.7
[M+K]+ 251.04688 153.2
[M-H]- 211.07644 151.4
[M+Na-2H]- 233.05839 157.0
[M]+ 212.08317 150.1
[M]- 212.08427 150.1
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