CID 693301

3-[(4-chlorobenzyl)oxy]benzaldehyde

Structural Information

Molecular Formula
C14H11ClO2
SMILES
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)C=O
InChI
InChI=1S/C14H11ClO2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-9H,10H2
InChIKey
SBIKVRRNAVDMQC-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

246.04475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.052026 151.1
[M+Na]+ 269.033968 160.7
[M-H]- 245.037474 158.1
[M+NH4]+ 264.078573 169.4
[M+K]+ 285.007908 155.5
[M+H-H2O]+ 229.042010 144.7
[M+HCOO]- 291.042951 171.6
[M+CH3COO]- 305.058601 191.3
[M+Na-2H]- 267.019416 157.3
[M]+ 246.04420142 155.4
[M]- 246.04529858 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

No literature data available for this compound.

Patent stripe

patents stripe