CID 16244499

7-fluoro-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C8H5FO2
SMILES
C1C(=O)C2=C(O1)C(=CC=C2)F
InChI
InChI=1S/C8H5FO2/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3H,4H2
InChIKey
QTJZNVDJUDKRHG-UHFFFAOYSA-N
Compound name
7-fluoro-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

152.02736 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.034636 123.6
[M+Na]+ 175.016578 134.1
[M-H]- 151.020084 128.2
[M+NH4]+ 170.061183 146.7
[M+K]+ 190.990518 132.9
[M+H-H2O]+ 135.024620 118.3
[M+HCOO]- 197.025561 146.5
[M+CH3COO]- 211.041211 174.1
[M+Na-2H]- 173.002026 131.2
[M]+ 152.02681142 123.7
[M]- 152.02790858 123.7
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