CID 2777057

2,4,5-trifluorobenzyl bromide

Structural Information

Molecular Formula
C7H4BrF3
SMILES
C1=C(C(=CC(=C1F)F)F)CBr
InChI
InChI=1S/C7H4BrF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
InChIKey
GAUXEYCSWSMMFZ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

689
Patents

223.94485 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95213 146.9
[M+Na]+ 246.93407 149.8
[M+NH4]+ 241.97867 150.7
[M+K]+ 262.90801 148.4
[M-H]- 222.93757 144.5
[M+Na-2H]- 244.91952 148.9
[M]+ 223.94430 145.4
[M]- 223.94540 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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