CID 43622004

2-(3,5-dichlorophenoxy)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.99014 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99742 152.0
[M+Na]+ 288.97936 163.3
[M-H]- 264.98286 158.7
[M+NH4]+ 284.02396 170.2
[M+K]+ 304.95330 157.1
[M+H-H2O]+ 248.98740 146.6
[M+HCOO]- 310.98834 167.7
[M+CH3COO]- 325.00399 194.0
[M+Na-2H]- 286.96481 157.3
[M]+ 265.98959 157.5
[M]- 265.99069 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