CID 18350457

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

Structural Information

Molecular Formula
C7H3BrClF3O
SMILES
C1=CC(=C(C=C1Br)Cl)OC(F)(F)F
InChI
InChI=1S/C7H3BrClF3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKey
WSENYRJAJFHXQR-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

273.9008 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.90808 153.5
[M+Na]+ 296.89002 156.1
[M+NH4]+ 291.93462 156.9
[M+K]+ 312.86396 155.3
[M-H]- 272.89352 150.2
[M+Na-2H]- 294.87547 155.4
[M]+ 273.90025 152.0
[M]- 273.90135 152.0
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