CID 62785196

4,6-difluoro-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula

C₈H₄F₂O₂

SMILES

C1C(=O)C2=C(O1)C=C(C=C2F)F

InChI

InChI=1S/C8H4F2O2/c9-4-1-5(10)8-6(11)3-12-7(8)2-4/h1-2H,3H2

InChIKey

WFXCNBKZBYQYLP-UHFFFAOYSA-N

Compound name

4,6-difluoro-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 170.01793 Da
Monoisotopic Mass: 1.7
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]+	171.02521	126.0
[M+Na]+	193.00715	137.6
[M-H]-	169.01065	129.7
[M+NH4]+	188.05175	148.7
[M+K]+	208.98109	135.9
[M+H-H2O]+	153.01519	120.1
[M+HCOO]-	215.01613	147.9
[M+CH3COO]-	229.03178	178.0
[M+Na-2H]-	190.99260	132.4
[M]+	170.01738	125.5
[M]-	170.01848	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe