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

12
Patents

152.02736 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03464 123.6
[M+Na]+ 175.01658 134.1
[M-H]- 151.02008 128.2
[M+NH4]+ 170.06118 146.7
[M+K]+ 190.99052 132.9
[M+H-H2O]+ 135.02462 118.3
[M+HCOO]- 197.02556 146.5
[M+CH3COO]- 211.04121 174.1
[M+Na-2H]- 173.00203 131.2
[M]+ 152.02681 123.7
[M]- 152.02791 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