CID 89165678

1-((2s)-6-fluoro-3,4-dihydro-2h-chromen-2-yl)ethanone

Structural Information

Molecular Formula

C₁₁H₁₁FO₂

SMILES

CC(=O)[C@@H]1CCC2=C(O1)C=CC(=C2)F

InChI

InChI=1S/C11H11FO2/c1-7(13)10-4-2-8-6-9(12)3-5-11(8)14-10/h3,5-6,10H,2,4H2,1H3/t10-/m0/s1

InChIKey

ODAHUOSPKOMSBG-JTQLQIEISA-N

Compound name

1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16
Patents: 194.07431 Da
Monoisotopic Mass: 2.2
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]+	195.081586	137.9
[M+Na]+	217.063528	145.9
[M-H]-	193.067034	141.8
[M+NH4]+	212.108133	157.3
[M+K]+	233.037468	144.6
[M+H-H2O]+	177.071570	131.3
[M+HCOO]-	239.072511	156.5
[M+CH3COO]-	253.088161	184.5
[M+Na-2H]-	215.048976	144.1
[M]+	194.07376142	136.3
[M]-	194.07485858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe