CID 14034077

4-(benzyloxy)-2-chlorobenzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₁ClO₂

SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)C=O)Cl

InChI

InChI=1S/C14H11ClO2/c15-14-8-13(7-6-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

NYDXXBPGGPYUDR-UHFFFAOYSA-N

Compound name

2-chloro-4-phenylmethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
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	151.1
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe