CID 53773261

1-(1-bromo-2,2,2-trifluoroethyl)-4-fluorobenzene

Structural Information

Molecular Formula
C8H5BrF4
SMILES
C1=CC(=CC=C1C(C(F)(F)F)Br)F
InChI
InChI=1S/C8H5BrF4/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H
InChIKey
DQCQFCZGHRBWOB-UHFFFAOYSA-N
Compound name
1-(1-bromo-2,2,2-trifluoroethyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

255.95108 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.958356 147.4
[M+Na]+ 278.940298 159.6
[M-H]- 254.943804 149.0
[M+NH4]+ 273.984903 168.0
[M+K]+ 294.914238 148.0
[M+H-H2O]+ 238.948340 144.9
[M+HCOO]- 300.949281 163.1
[M+CH3COO]- 314.964931 191.2
[M+Na-2H]- 276.925746 152.7
[M]+ 255.95053142 159.9
[M]- 255.95162858 159.9
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