CID 519061

2,3,6-trifluorobenzyl bromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

301
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 135.6
[M+Na]+ 246.93407 149.8
[M-H]- 222.93757 139.1
[M+NH4]+ 241.97867 158.1
[M+K]+ 262.90801 138.1
[M+H-H2O]+ 206.94211 134.1
[M+HCOO]- 268.94305 155.2
[M+CH3COO]- 282.95870 187.3
[M+Na-2H]- 244.91952 141.8
[M]+ 223.94430 151.0
[M]- 223.94540 151.0
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