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

176
Patents

208.01474 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.022016 133.7
[M+Na]+ 231.003958 145.3
[M-H]- 207.007464 135.4
[M+NH4]+ 226.048563 155.2
[M+K]+ 246.977898 145.0
[M+H-H2O]+ 191.012000 125.6
[M+HCOO]- 253.012941 150.0
[M+CH3COO]- 267.028591 183.3
[M+Na-2H]- 228.989406 143.8
[M]+ 208.01419142 130.3
[M]- 208.01528858 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