CID 2776619

215732-94-8

Structural Information

Molecular Formula
C9H3F4NO2
SMILES
C1=CC2=C(C=C1C#N)OC(C(O2)(F)F)(F)F
InChI
InChI=1S/C9H3F4NO2/c10-8(11)9(12,13)16-7-3-5(4-14)1-2-6(7)15-8/h1-3H
InChIKey
QPYMMYGNDXPHIU-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-1,4-benzodioxine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

233.01 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01728 133.3
[M+Na]+ 255.99922 147.7
[M-H]- 232.00272 134.5
[M+NH4]+ 251.04382 151.9
[M+K]+ 271.97316 144.0
[M+H-H2O]+ 216.00726 119.2
[M+HCOO]- 278.00820 146.8
[M+CH3COO]- 292.02385 200.1
[M+Na-2H]- 253.98467 142.2
[M]+ 233.00945 126.0
[M]- 233.01055 126.0
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