CID 86398

Fludioxonil

Structural Information

Molecular Formula
C12H6F2N2O2
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N
InChI
InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
InChIKey
MUJOIMFVNIBMKC-UHFFFAOYSA-N
Compound name
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

306
References

55456
Patents

248.03973 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04701 145.2
[M+Na]+ 271.02895 159.0
[M-H]- 247.03245 148.2
[M+NH4]+ 266.07355 162.4
[M+K]+ 287.00289 153.2
[M+H-H2O]+ 231.03699 131.3
[M+HCOO]- 293.03793 160.8
[M+CH3COO]- 307.05358 157.1
[M+Na-2H]- 269.01440 149.7
[M]+ 248.03918 139.7
[M]- 248.04028 139.7
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.