CID 11557697

3-(2-chlorophenoxy)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

232.02911 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe