CID 54065873

4,5,6-trifluoro-1,3-dihydro-2-benzofuran-1,3-dione

Structural Information

Molecular Formula
C8HF3O3
SMILES
C1=C2C(=C(C(=C1F)F)F)C(=O)OC2=O
InChI
InChI=1S/C8HF3O3/c9-3-1-2-4(6(11)5(3)10)8(13)14-7(2)12/h1H
InChIKey
MCXWABSMXKULCY-UHFFFAOYSA-N
Compound name
4,5,6-trifluoro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

201.98778 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.99506 129.7
[M+Na]+ 224.97700 143.3
[M-H]- 200.98050 132.7
[M+NH4]+ 220.02160 151.4
[M+K]+ 240.95094 141.1
[M+H-H2O]+ 184.98504 123.2
[M+HCOO]- 246.98598 150.8
[M+CH3COO]- 261.00163 184.6
[M+Na-2H]- 222.96245 134.3
[M]+ 201.98723 129.5
[M]- 201.98833 129.5
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