CID 15921914

2-(propan-2-yloxy)benzoyl chloride

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

CC(C)OC1=CC=CC=C1C(=O)Cl

InChI

InChI=1S/C10H11ClO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3

InChIKey

CIYMDTDRZWFTTL-UHFFFAOYSA-N

Compound name

2-propan-2-yloxybenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 198.04475 Da
Monoisotopic Mass: 3.4
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]+	199.052026	138.6
[M+Na]+	221.033968	147.1
[M-H]-	197.037474	142.4
[M+NH4]+	216.078573	158.9
[M+K]+	237.007908	144.3
[M+H-H2O]+	181.042010	133.9
[M+HCOO]-	243.042951	157.0
[M+CH3COO]-	257.058601	184.2
[M+Na-2H]-	219.019416	142.8
[M]+	198.04420142	142.3
[M]-	198.04529858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe