CID 18614917

874649-82-8

Structural Information

Molecular Formula

C₁₁H₁₁FO₃

SMILES

COC(=O)C1CCC2=C(O1)C=CC(=C2)F

InChI

InChI=1S/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3

InChIKey

QAYAXMIKHJVIJM-UHFFFAOYSA-N

Compound name

methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 210.06923 Da
Monoisotopic Mass: 2.3
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]+	211.076506	141.2
[M+Na]+	233.058448	149.2
[M-H]-	209.061954	145.1
[M+NH4]+	228.103053	160.0
[M+K]+	249.032388	148.5
[M+H-H2O]+	193.066490	134.4
[M+HCOO]-	255.067431	160.1
[M+CH3COO]-	269.083081	185.9
[M+Na-2H]-	231.043896	147.4
[M]+	210.06868142	141.0
[M]-	210.06977858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe