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: 33
Patents: 246.04475 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.05203	151.7
[M+Na]+	269.03397	168.5
[M+NH4]+	264.07857	161.3
[M+K]+	285.00791	159.1
[M-H]-	245.03747	156.8
[M+Na-2H]-	267.01942	162.2
[M]+	246.04420	156.1
[M]-	246.04530	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe