CID 59710684

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

Structural Information

Molecular Formula
C8H4Br2F4O
SMILES
C1=CC(=CC(=C1)Br)OC(C(F)(F)Br)(F)F
InChI
InChI=1S/C8H4Br2F4O/c9-5-2-1-3-6(4-5)15-8(13,14)7(10,11)12/h1-4H
InChIKey
WYBUGRQZKQAZOQ-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

349.8565 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.86378 160.9
[M+Na]+ 372.84572 172.4
[M-H]- 348.84922 163.8
[M+NH4]+ 367.89032 178.2
[M+K]+ 388.81966 156.4
[M+H-H2O]+ 332.85376 166.6
[M+HCOO]- 394.85470 171.9
[M+CH3COO]- 408.87035 209.1
[M+Na-2H]- 370.83117 166.8
[M]+ 349.85595 190.7
[M]- 349.85705 190.7
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