CID 3851764

4-(4-chlorophenoxy)benzaldehyde

Structural Information

Molecular Formula
C13H9ClO2
SMILES
C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H9ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
InChIKey
BLCXBCYVCDPFEU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

155
Patents

232.02911 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03639 147.0
[M+Na]+ 255.01833 164.0
[M+NH4]+ 250.06293 156.8
[M+K]+ 270.99227 154.9
[M-H]- 231.02183 152.2
[M+Na-2H]- 253.00378 157.8
[M]+ 232.02856 151.5
[M]- 232.02966 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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