CID 110209355

Methyl 5,8-difluoro-1-oxo-3,4-dihydro-1h-2-benzopyran-3-carboxylate

Structural Information

Molecular Formula
C11H8F2O4
SMILES
COC(=O)C1CC2=C(C=CC(=C2C(=O)O1)F)F
InChI
InChI=1S/C11H8F2O4/c1-16-10(14)8-4-5-6(12)2-3-7(13)9(5)11(15)17-8/h2-3,8H,4H2,1H3
InChIKey
MXIICCZLCBUEAM-UHFFFAOYSA-N
Compound name
methyl 5,8-difluoro-1-oxo-3,4-dihydroisochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03906 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04634 152.1
[M+Na]+ 265.02828 163.1
[M+NH4]+ 260.07288 158.2
[M+K]+ 281.00222 158.2
[M-H]- 241.03178 151.7
[M+Na-2H]- 263.01373 154.3
[M]+ 242.03851 153.2
[M]- 242.03961 153.2
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.