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]+ 282.99233 154.4
[M+Na]+ 304.97427 166.1
[M-H]- 280.97777 160.2
[M+NH4]+ 300.01887 171.6
[M+K]+ 320.94821 159.8
[M+H-H2O]+ 264.98231 149.5
[M+HCOO]- 326.98325 168.9
[M+CH3COO]- 340.99890 194.7
[M+Na-2H]- 302.95972 158.7
[M]+ 281.98450 160.0
[M]- 281.98560 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