CID 125511479

4-bromo-2-chloro-1-(2,2,2-trifluoroethyl)benzene

Structural Information

Molecular Formula
C8H5BrClF3
SMILES
C1=CC(=C(C=C1Br)Cl)CC(F)(F)F
InChI
InChI=1S/C8H5BrClF3/c9-6-2-1-5(7(10)3-6)4-8(11,12)13/h1-3H,4H2
InChIKey
GJBOXQHMFCEJCL-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1-(2,2,2-trifluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9215 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.92878 154.9
[M+Na]+ 294.91072 157.8
[M+NH4]+ 289.95532 158.6
[M+K]+ 310.88466 156.3
[M-H]- 270.91422 152.0
[M+Na-2H]- 292.89617 156.9
[M]+ 271.92095 153.6
[M]- 271.92205 153.6
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.