CID 63037259

6,7-difluoro-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C8H4F2O2
SMILES
C1C(=O)C2=C(O1)C(=C(C=C2)F)F
InChI
InChI=1S/C8H4F2O2/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-2H,3H2
InChIKey
MQAMYXXHEDSDBQ-UHFFFAOYSA-N
Compound name
6,7-difluoro-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.01793 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.