CID 57075298

113939-45-0

Structural Information

Molecular Formula
C8H4Br2F4O
SMILES
C1=CC(=CC=C1OC(C(F)(F)Br)(F)F)Br
InChI
InChI=1S/C8H4Br2F4O/c9-5-1-3-6(4-2-5)15-8(13,14)7(10,11)12/h1-4H
InChIKey
MHPXJSIMKFXETB-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

literature stripe

Patent stripe

patents stripe