CID 2777052

2,3,5-trifluorobenzyl bromide

Structural Information

Molecular Formula
C7H4BrF3
SMILES
C1=C(C=C(C(=C1CBr)F)F)F
InChI
InChI=1S/C7H4BrF3/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
InChIKey
QPMAEHBAXJSICW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
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

No literature data available for this compound.

Patent stripe

patents stripe