CID 54310924

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

Structural Information

Molecular Formula
C8H5BrF4
SMILES
C1=CC(=C(C=C1Br)F)CC(F)(F)F
InChI
InChI=1S/C8H5BrF4/c9-6-2-1-5(7(10)3-6)4-8(11,12)13/h1-3H,4H2
InChIKey
ZGCXVFMUKWEDHC-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-1-(2,2,2-trifluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

255.95108 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95836 146.5
[M+Na]+ 278.94030 159.9
[M-H]- 254.94380 148.4
[M+NH4]+ 273.98490 167.5
[M+K]+ 294.91424 147.8
[M+H-H2O]+ 238.94834 144.2
[M+HCOO]- 300.94928 163.2
[M+CH3COO]- 314.96493 191.5
[M+Na-2H]- 276.92575 152.4
[M]+ 255.95053 160.0
[M]- 255.95163 160.0
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