CID 155970843

4-fluoro-5-(trifluoromethoxy)-1,3-dihydro-2-benzofuran-1,3-dione

Structural Information

Molecular Formula
C9H2F4O4
SMILES
C1=CC(=C(C2=C1C(=O)OC2=O)F)OC(F)(F)F
InChI
InChI=1S/C9H2F4O4/c10-6-4(17-9(11,12)13)2-1-3-5(6)8(15)16-7(3)14/h1-2H
InChIKey
FIRLEGHIIOTAQU-UHFFFAOYSA-N
Compound name
4-fluoro-5-(trifluoromethoxy)-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.98892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99620 141.4
[M+Na]+ 272.97814 153.9
[M-H]- 248.98164 142.8
[M+NH4]+ 268.02274 160.7
[M+K]+ 288.95208 152.2
[M+H-H2O]+ 232.98618 134.0
[M+HCOO]- 294.98712 159.6
[M+CH3COO]- 309.00277 191.1
[M+Na-2H]- 270.96359 146.5
[M]+ 249.98837 140.8
[M]- 249.98947 140.8
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.