CID 59146248

2167934-38-3

Structural Information

Molecular Formula
C8H5BrF4
SMILES
CC1=CC(=CC(=C1F)C(F)(F)F)Br
InChI
InChI=1S/C8H5BrF4/c1-4-2-5(9)3-6(7(4)10)8(11,12)13/h2-3H,1H3
InChIKey
LFHOMTUGUHOAIX-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-1-methyl-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

255.95108 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95836 160.2
[M+Na]+ 278.94030 161.9
[M+NH4]+ 273.98490 162.7
[M+K]+ 294.91424 160.8
[M-H]- 254.94380 156.1
[M+Na-2H]- 276.92575 160.7
[M]+ 255.95053 158.1
[M]- 255.95163 158.1
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