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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.025206 126.0
[M+Na]+ 193.007148 137.6
[M-H]- 169.010654 129.7
[M+NH4]+ 188.051753 148.7
[M+K]+ 208.981088 135.9
[M+H-H2O]+ 153.015190 120.1
[M+HCOO]- 215.016131 147.9
[M+CH3COO]- 229.031781 178.0
[M+Na-2H]- 190.992596 132.4
[M]+ 170.01738142 125.5
[M]- 170.01847858 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

patents stripe