CID 2778574

1-bromo-3-(1,1,2,2-tetrafluoroethoxy)benzene

Structural Information

Molecular Formula
C8H5BrF4O
SMILES
C1=CC(=CC(=C1)Br)OC(C(F)F)(F)F
InChI
InChI=1S/C8H5BrF4O/c9-5-2-1-3-6(4-5)14-8(12,13)7(10)11/h1-4,7H
InChIKey
ALQQXORYKLCHJY-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,1,2,2-tetrafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

271.94598 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95326 161.2
[M+Na]+ 294.93520 161.8
[M+NH4]+ 289.97980 163.2
[M+K]+ 310.90914 161.5
[M-H]- 270.93870 156.5
[M+Na-2H]- 292.92065 161.6
[M]+ 271.94543 158.7
[M]- 271.94653 158.7
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