CID 65428411

1-(6,7-difluoro-1-benzofuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C10H6F2O2
SMILES
CC(=O)C1=CC2=C(O1)C(=C(C=C2)F)F
InChI
InChI=1S/C10H6F2O2/c1-5(13)8-4-6-2-3-7(11)9(12)10(6)14-8/h2-4H,1H3
InChIKey
IERHPXKAVQYYAN-UHFFFAOYSA-N
Compound name
1-(6,7-difluoro-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03358 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04086 139.6
[M+Na]+ 219.02280 152.1
[M+NH4]+ 214.06740 147.1
[M+K]+ 234.99674 148.0
[M-H]- 195.02630 140.1
[M+Na-2H]- 217.00825 144.1
[M]+ 196.03303 141.4
[M]- 196.03413 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.