CID 21209244

(4-isopropylphenoxy)acetyl chloride

Structural Information

Molecular Formula

C₁₁H₁₃ClO₂

SMILES

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

InChI

InChI=1S/C11H13ClO2/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3

InChIKey

YGVLHWFQKYVLFY-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylphenoxy)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 212.06041 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]+	213.06769	143.7
[M+Na]+	235.04963	157.0
[M+NH4]+	230.09423	152.3
[M+K]+	251.02357	150.3
[M-H]-	211.05313	145.5
[M+Na-2H]-	233.03508	150.2
[M]+	212.05986	146.4
[M]-	212.06096	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe