CID 45075740

1270294-05-7

Structural Information

Molecular Formula

C₉H₈F₂O₂

SMILES

C1COC2=C([C@@H]1O)C(=CC(=C2)F)F

InChI

InChI=1S/C9H8F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2/t7-/m1/s1

InChIKey

HGTYMLFMXKYIQW-SSDOTTSWSA-N

Compound name

(4R)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 186.04924 Da
Monoisotopic Mass: 1.4
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]+	187.05652	133.1
[M+Na]+	209.03846	142.5
[M-H]-	185.04196	134.8
[M+NH4]+	204.08306	152.4
[M+K]+	225.01240	140.4
[M+H-H2O]+	169.04650	126.1
[M+HCOO]-	231.04744	150.6
[M+CH3COO]-	245.06309	179.7
[M+Na-2H]-	207.02391	139.7
[M]+	186.04869	129.5
[M]-	186.04979	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe