CID 718048

40359-59-9

Structural Information

Molecular Formula

C₁₄H₁₁ClO₂

SMILES

C1=CC=C(C(=C1)C=O)OCC2=CC(=CC=C2)Cl

InChI

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

InChIKey

MENPASVPECUNNR-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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]+	247.052026	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe