CID 688050

3-(3,5-dichlorophenoxy)benzaldehyde

Structural Information

Molecular Formula
C13H8Cl2O2
SMILES
C1=CC(=CC(=C1)OC2=CC(=CC(=C2)Cl)Cl)C=O
InChI
InChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H
InChIKey
BISWHYILBVQCRA-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

148
Patents

265.99014 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.997416 152.0
[M+Na]+ 288.979358 163.3
[M-H]- 264.982864 158.7
[M+NH4]+ 284.023963 170.2
[M+K]+ 304.953298 157.1
[M+H-H2O]+ 248.987400 146.6
[M+HCOO]- 310.988341 167.7
[M+CH3COO]- 325.003991 194.0
[M+Na-2H]- 286.964806 157.3
[M]+ 265.98959142 157.5
[M]- 265.99068858 157.5
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