CID 21049705

5-((4-bromo-2,6-difluorophenyl)difluoromethoxy)-1,2,3-trifluorobenzene

Structural Information

Molecular Formula
C13H4BrF7O
SMILES
C1=C(C=C(C(=C1F)F)F)OC(C2=C(C=C(C=C2F)Br)F)(F)F
InChI
InChI=1S/C13H4BrF7O/c14-5-1-7(15)11(8(16)2-5)13(20,21)22-6-3-9(17)12(19)10(18)4-6/h1-4H
InChIKey
SHRYZLBRADLPQN-UHFFFAOYSA-N
Compound name
5-bromo-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

387.93338 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.94066 179.2
[M+Na]+ 410.92260 194.6
[M-H]- 386.92610 181.0
[M+NH4]+ 405.96720 195.1
[M+K]+ 426.89654 180.7
[M+H-H2O]+ 370.93064 172.8
[M+HCOO]- 432.93158 192.3
[M+CH3COO]- 446.94723 216.0
[M+Na-2H]- 408.90805 179.7
[M]+ 387.93283 191.0
[M]- 387.93393 191.0
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