CID 11357442

4-benzyloxyphenylacetyl chloride

Structural Information

Molecular Formula

C₁₅H₁₃ClO₂

SMILES

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

InChI

InChI=1S/C15H13ClO2/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2

InChIKey

GZAGJMNAVUCWGM-UHFFFAOYSA-N

Compound name

2-(4-phenylmethoxyphenyl)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 260.0604 Da
Monoisotopic Mass: 3.7
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]+	261.067676	156.2
[M+Na]+	283.049618	164.1
[M-H]-	259.053124	162.6
[M+NH4]+	278.094223	173.5
[M+K]+	299.023558	159.1
[M+H-H2O]+	243.057660	149.4
[M+HCOO]-	305.058601	175.3
[M+CH3COO]-	319.074251	194.0
[M+Na-2H]-	281.035066	161.3
[M]+	260.05985142	159.8
[M]-	260.06094858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe