CID 2776588

94767-47-2

Structural Information

Molecular Formula
C8H4F4O2
SMILES
C1=CC=C2C(=C1)OC(C(O2)(F)F)(F)F
InChI
InChI=1S/C8H4F4O2/c9-7(10)8(11,12)14-6-4-2-1-3-5(6)13-7/h1-4H
InChIKey
QLCDBPBUHSKXHY-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

208.01474 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02202 133.7
[M+Na]+ 231.00396 145.3
[M-H]- 207.00746 135.4
[M+NH4]+ 226.04856 155.2
[M+K]+ 246.97790 145.0
[M+H-H2O]+ 191.01200 125.6
[M+HCOO]- 253.01294 150.0
[M+CH3COO]- 267.02859 183.3
[M+Na-2H]- 228.98941 143.8
[M]+ 208.01419 130.3
[M]- 208.01529 130.3
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