CID 139594537

Fludioxonil tp1

Structural Information

Molecular Formula
C12H6F2N2O6
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)C3(C(O3)(C#N)C(=O)O)C(=O)N
InChI
InChI=1S/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)
InChIKey
CIDOWFUMBJPVMD-UHFFFAOYSA-N
Compound name
3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

312.01938 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02666 166.3
[M+Na]+ 335.00860 175.1
[M+NH4]+ 330.05320 171.0
[M+K]+ 350.98254 168.6
[M-H]- 311.01210 166.3
[M+Na-2H]- 332.99405 169.8
[M]+ 312.01883 167.9
[M]- 312.01993 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.