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 146.4
[M+Na]+ 255.01833 156.4
[M-H]- 231.02183 153.5
[M+NH4]+ 250.06293 165.3
[M+K]+ 270.99227 151.5
[M+H-H2O]+ 215.02637 140.2
[M+HCOO]- 277.02731 167.2
[M+CH3COO]- 291.04296 188.3
[M+Na-2H]- 253.00378 153.2
[M]+ 232.02856 150.3
[M]- 232.02966 150.3
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