CID 53213710

944899-27-8

Structural Information

Molecular Formula

C₁₀H₉FO₃

SMILES

C1C(COC2=C1C=C(C=C2)F)C(=O)O

InChI

InChI=1S/C10H9FO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5H2,(H,12,13)

InChIKey

POJZDZQAEYSLOK-UHFFFAOYSA-N

Compound name

6-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 196.05357 Da
Monoisotopic Mass: 1.6
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]+	197.060846	136.8
[M+Na]+	219.042788	144.7
[M-H]-	195.046294	139.4
[M+NH4]+	214.087393	155.3
[M+K]+	235.016728	143.3
[M+H-H2O]+	179.050830	130.4
[M+HCOO]-	241.051771	154.5
[M+CH3COO]-	255.067421	181.0
[M+Na-2H]-	217.028236	143.1
[M]+	196.05302142	134.5
[M]-	196.05411858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe