CID 118561

4-butoxybenzoyl chloride

Structural Information

Molecular Formula

C₁₁H₁₃ClO₂

SMILES

CCCCOC1=CC=C(C=C1)C(=O)Cl

InChI

InChI=1S/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3

InChIKey

KMGCTFHTBKBITO-UHFFFAOYSA-N

Compound name

4-butoxybenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 483
Patents: 212.06041 Da
Monoisotopic Mass: 4.6
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]+	213.06769	143.7
[M+Na]+	235.04963	157.3
[M+NH4]+	230.09423	152.4
[M+K]+	251.02357	149.8
[M-H]-	211.05313	145.7
[M+Na-2H]-	233.03508	150.6
[M]+	212.05986	146.5
[M]-	212.06096	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe