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

119
Patents

255.95108 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95836 147.4
[M+Na]+ 278.94030 159.6
[M-H]- 254.94380 149.0
[M+NH4]+ 273.98490 168.0
[M+K]+ 294.91424 148.0
[M+H-H2O]+ 238.94834 144.9
[M+HCOO]- 300.94928 163.1
[M+CH3COO]- 314.96493 191.2
[M+Na-2H]- 276.92575 152.7
[M]+ 255.95053 159.9
[M]- 255.95163 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