CID 71669445

2-bromo-1-fluoro-3-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H3BrF4O
SMILES
C1=CC(=C(C(=C1)F)Br)OC(F)(F)F
InChI
InChI=1S/C7H3BrF4O/c8-6-4(9)2-1-3-5(6)13-7(10,11)12/h1-3H
InChIKey
YPXLOIBEAHHYGO-UHFFFAOYSA-N
Compound name
2-bromo-1-fluoro-3-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

257.93033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.937606 144.7
[M+Na]+ 280.919548 158.4
[M-H]- 256.923054 146.8
[M+NH4]+ 275.964153 165.6
[M+K]+ 296.893488 147.1
[M+H-H2O]+ 240.927590 142.3
[M+HCOO]- 302.928531 161.9
[M+CH3COO]- 316.944181 190.5
[M+Na-2H]- 278.904996 151.2
[M]+ 257.92978142 159.2
[M]- 257.93087858 159.2
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

patents stripe