CID 80104786

4-[(3-hydroxyphenyl)methoxy]benzaldehyde

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC(=CC(=C1)O)COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H12O3/c15-9-11-4-6-14(7-5-11)17-10-12-2-1-3-13(16)8-12/h1-9,16H,10H2
InChIKey
ZMDBCINTJBHMQM-UHFFFAOYSA-N
Compound name
4-[(3-hydroxyphenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.3
[M+Na]+ 251.067858 156.5
[M-H]- 227.071364 154.1
[M+NH4]+ 246.112463 165.7
[M+K]+ 267.041798 152.9
[M+H-H2O]+ 211.075900 141.2
[M+HCOO]- 273.076841 172.1
[M+CH3COO]- 287.092491 187.0
[M+Na-2H]- 249.053306 154.6
[M]+ 228.07809142 149.9
[M]- 228.07918858 149.9
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