CID 165942763

6-fluoro-4-methyl-1,3-dihydro-2-benzofuran-1,3-dione

Structural Information

Molecular Formula
C9H5FO3
SMILES
CC1=CC(=CC2=C1C(=O)OC2=O)F
InChI
InChI=1S/C9H5FO3/c1-4-2-5(10)3-6-7(4)9(12)13-8(6)11/h2-3H,1H3
InChIKey
KMXZUOPSDRMRDH-UHFFFAOYSA-N
Compound name
6-fluoro-4-methyl-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.02228 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02956 129.1
[M+Na]+ 203.01150 141.2
[M-H]- 179.01500 134.4
[M+NH4]+ 198.05610 151.5
[M+K]+ 218.98544 139.8
[M+H-H2O]+ 163.01954 124.1
[M+HCOO]- 225.02048 152.0
[M+CH3COO]- 239.03613 180.8
[M+Na-2H]- 200.99695 135.0
[M]+ 180.02173 131.2
[M]- 180.02283 131.2
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.