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]+ 181.029556 129.1
[M+Na]+ 203.011498 141.2
[M-H]- 179.015004 134.4
[M+NH4]+ 198.056103 151.5
[M+K]+ 218.985438 139.8
[M+H-H2O]+ 163.019540 124.1
[M+HCOO]- 225.020481 152.0
[M+CH3COO]- 239.036131 180.8
[M+Na-2H]- 200.996946 135.0
[M]+ 180.02173142 131.2
[M]- 180.02282858 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.