CID 154199414

156801-40-0

Structural Information

Molecular Formula

C₁₁H₁₁ClO₂

SMILES

C1CC2=CC=CC=C2OC1C(=O)CCl

InChI

InChI=1S/C11H11ClO2/c12-7-9(13)11-6-5-8-3-1-2-4-10(8)14-11/h1-4,11H,5-7H2

InChIKey

NFPQVHVIHCVMHJ-UHFFFAOYSA-N

Compound name

2-chloro-1-(3,4-dihydro-2H-chromen-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.04475 Da
Monoisotopic Mass: 2.7
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]+	211.052026	141.7
[M+Na]+	233.033968	149.5
[M-H]-	209.037474	146.4
[M+NH4]+	228.078573	161.0
[M+K]+	249.007908	146.7
[M+H-H2O]+	193.042010	136.6
[M+HCOO]-	255.042951	156.8
[M+CH3COO]-	269.058601	184.4
[M+Na-2H]-	231.019416	148.7
[M]+	210.04420142	142.9
[M]-	210.04529858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe