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 133.4
[M+Na]+ 219.02280 145.8
[M-H]- 195.02630 137.5
[M+NH4]+ 214.06740 155.1
[M+K]+ 234.99674 143.8
[M+H-H2O]+ 179.03084 127.0
[M+HCOO]- 241.03178 156.4
[M+CH3COO]- 255.04743 184.4
[M+Na-2H]- 217.00825 139.2
[M]+ 196.03303 135.8
[M]- 196.03413 135.8
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.