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

343
Patents

223.02563 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03291 139.0
[M+Na]+ 246.01485 150.7
[M-H]- 222.01835 140.3
[M+NH4]+ 241.05945 159.5
[M+K]+ 261.98879 149.9
[M+H-H2O]+ 206.02289 130.8
[M+HCOO]- 268.02383 155.5
[M+CH3COO]- 282.03948 188.8
[M+Na-2H]- 244.00030 147.7
[M]+ 223.02508 134.3
[M]- 223.02618 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