CID 124253603

1-bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H3BrF6O
SMILES
C1=CC(=C(C=C1OC(F)(F)F)C(F)(F)F)Br
InChI
InChI=1S/C8H3BrF6O/c9-6-2-1-4(16-8(13,14)15)3-5(6)7(10,11)12/h1-3H
InChIKey
RVQQZBLDIMREHY-UHFFFAOYSA-N
Compound name
1-bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.92715 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.93443 158.7
[M+Na]+ 330.91637 172.5
[M-H]- 306.91987 158.4
[M+NH4]+ 325.96097 177.5
[M+K]+ 346.89031 160.4
[M+H-H2O]+ 290.92441 154.7
[M+HCOO]- 352.92535 172.0
[M+CH3COO]- 366.94100 198.6
[M+Na-2H]- 328.90182 163.8
[M]+ 307.92660 170.2
[M]- 307.92770 170.2
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

No patent data available for this compound.