CID 10847214

4-(3-chlorophenoxy)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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

No literature data available for this compound.

Patent stripe

patents stripe