CID 24720901

885266-62-6

Structural Information

Molecular Formula

C₁₁H₁₁FO₂

SMILES

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

InChI

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

InChIKey

AZYHMVLQDDDWCY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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	136.6
[M+Na]+	217.06353	146.8
[M-H]-	193.06703	141.2
[M+NH4]+	212.10813	158.5
[M+K]+	233.03747	145.3
[M+H-H2O]+	177.07157	130.7
[M+HCOO]-	239.07251	156.2
[M+CH3COO]-	253.08816	184.3
[M+Na-2H]-	215.04898	144.5
[M]+	194.07376	136.3
[M]-	194.07486	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe