CID 15205373

7-fluoro-2,2-dimethylchroman-4-one

Structural Information

Molecular Formula

C₁₁H₁₁FO₂

SMILES

CC1(CC(=O)C2=C(O1)C=C(C=C2)F)C

InChI

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

InChIKey

MWTQZPUQPCIGJM-UHFFFAOYSA-N

Compound name

7-fluoro-2,2-dimethyl-3H-chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 194.07431 Da
Monoisotopic Mass: 2.1
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]+	195.08159	140.3
[M+Na]+	217.06353	153.8
[M+NH4]+	212.10813	150.6
[M+K]+	233.03747	145.3
[M-H]-	193.06703	143.2
[M+Na-2H]-	215.04898	146.9
[M]+	194.07376	143.3
[M]-	194.07486	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe