CID 616015

3-(4-chlorophenoxy)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

232.02911 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.036386 146.4
[M+Na]+ 255.018328 156.4
[M-H]- 231.021834 153.5
[M+NH4]+ 250.062933 165.3
[M+K]+ 270.992268 151.5
[M+H-H2O]+ 215.026370 140.2
[M+HCOO]- 277.027311 167.2
[M+CH3COO]- 291.042961 188.3
[M+Na-2H]- 253.003776 153.2
[M]+ 232.02856142 150.3
[M]- 232.02965858 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

literature stripe

Patent stripe

patents stripe