CID 23656594

4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde

Structural Information

Molecular Formula
C13H8Cl2O3
SMILES
C1=CC(=C(C=C1C=O)O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H
InChIKey
GKHZEXMYTPRFKV-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

281.98505 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.992326 154.4
[M+Na]+ 304.974268 166.1
[M-H]- 280.977774 160.2
[M+NH4]+ 300.018873 171.6
[M+K]+ 320.948208 159.8
[M+H-H2O]+ 264.982310 149.5
[M+HCOO]- 326.983251 168.9
[M+CH3COO]- 340.998901 194.7
[M+Na-2H]- 302.959716 158.7
[M]+ 281.98450142 160.0
[M]- 281.98559858 160.0
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