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

61
Patents

226.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 149.7
[M+Na]+ 249.08860 157.1
[M-H]- 225.09210 156.3
[M+NH4]+ 244.13320 167.6
[M+K]+ 265.06254 153.4
[M+H-H2O]+ 209.09664 142.1
[M+HCOO]- 271.09758 174.4
[M+CH3COO]- 285.11323 189.4
[M+Na-2H]- 247.07405 156.5
[M]+ 226.09883 151.6
[M]- 226.09993 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