CID 1490252

2-(3,5-dimethylphenoxy)benzaldehyde

Structural Information

Molecular Formula
C15H14O2
SMILES
CC1=CC(=CC(=C1)OC2=CC=CC=C2C=O)C
InChI
InChI=1S/C15H14O2/c1-11-7-12(2)9-14(8-11)17-15-6-4-3-5-13(15)10-16/h3-10H,1-2H3
InChIKey
SZCIXTZUAFRBSJ-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

226.09938 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 148.6
[M+Na]+ 249.08860 157.9
[M-H]- 225.09210 156.0
[M+NH4]+ 244.13320 167.1
[M+K]+ 265.06254 154.4
[M+H-H2O]+ 209.09664 141.5
[M+HCOO]- 271.09758 173.3
[M+CH3COO]- 285.11323 191.7
[M+Na-2H]- 247.07405 154.1
[M]+ 226.09883 151.4
[M]- 226.09993 151.4
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

patents stripe