CID 5062074

4-(2-phenylethoxy)benzaldehyde

Structural Information

Molecular Formula
C15H14O2
SMILES
C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C=O
InChI
InChI=1S/C15H14O2/c16-12-14-6-8-15(9-7-14)17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKey
NWWORWIYBLAYJD-UHFFFAOYSA-N
Compound name
4-(2-phenylethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

226.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 149.7
[M+Na]+ 249.088598 157.1
[M-H]- 225.092104 156.3
[M+NH4]+ 244.133203 167.6
[M+K]+ 265.062538 153.4
[M+H-H2O]+ 209.096640 142.1
[M+HCOO]- 271.097581 174.4
[M+CH3COO]- 285.113231 189.4
[M+Na-2H]- 247.074046 156.5
[M]+ 226.09883142 151.6
[M]- 226.09992858 151.6
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