CID 4995375

3-(benzyloxy)benzoyl chloride

Structural Information

Molecular Formula

C₁₄H₁₁ClO₂

SMILES

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

InChI

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

InChIKey

HPVUGOBQRQUWMK-UHFFFAOYSA-N

Compound name

3-phenylmethoxybenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 212
Patents: 246.04475 Da
Monoisotopic Mass: 4.3
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	152.0
[M+Na]+	269.03397	168.1
[M+NH4]+	264.07857	161.5
[M+K]+	285.00791	159.3
[M-H]-	245.03747	156.9
[M+Na-2H]-	267.01942	162.4
[M]+	246.04420	156.2
[M]-	246.04530	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe