CID 2776574

2,2,3,3-tetrafluoro-1,4-benzodioxin-6-amine

Structural Information

Molecular Formula
C8H5F4NO2
SMILES
C1=CC2=C(C=C1N)OC(C(O2)(F)F)(F)F
InChI
InChI=1S/C8H5F4NO2/c9-7(10)8(11,12)15-6-3-4(13)1-2-5(6)14-7/h1-3H,13H2
InChIKey
DCMDRNWAGHTMTR-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-1,4-benzodioxin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
Patents

223.02563 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.032906 139.0
[M+Na]+ 246.014848 150.7
[M-H]- 222.018354 140.3
[M+NH4]+ 241.059453 159.5
[M+K]+ 261.988788 149.9
[M+H-H2O]+ 206.022890 130.8
[M+HCOO]- 268.023831 155.5
[M+CH3COO]- 282.039481 188.8
[M+Na-2H]- 244.000296 147.7
[M]+ 223.02508142 134.3
[M]- 223.02617858 134.3
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