CID 580647

4-[(4-chlorobenzyl)oxy]benzaldehyde

Structural Information

Molecular Formula
C14H11ClO2
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)C=O)Cl
InChI
InChI=1S/C14H11ClO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
InChIKey
LYEQERPOWVBIQS-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

246.04475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05203 151.1
[M+Na]+ 269.03397 160.7
[M-H]- 245.03747 158.1
[M+NH4]+ 264.07857 169.4
[M+K]+ 285.00791 155.5
[M+H-H2O]+ 229.04201 144.7
[M+HCOO]- 291.04295 171.6
[M+CH3COO]- 305.05860 191.3
[M+Na-2H]- 267.01942 157.3
[M]+ 246.04420 155.4
[M]- 246.04530 155.4
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