CID 2776574

89586-07-2

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: 337
Patents: 223.02563 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.03291	148.0
[M+Na]+	246.01485	156.6
[M+NH4]+	241.05945	155.5
[M+K]+	261.98879	149.1
[M-H]-	222.01835	147.1
[M+Na-2H]-	244.00030	152.1
[M]+	223.02508	148.9
[M]-	223.02618	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe