CID 2733660

4-bromo-2-fluorobenzyl bromide

Structural Information

Molecular Formula
C7H5Br2F
SMILES
C1=CC(=C(C=C1Br)F)CBr
InChI
InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey
XMHNLZXYPAULDF-UHFFFAOYSA-N
Compound name
4-bromo-1-(bromomethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1644
Patents

265.8742 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.88148 144.9
[M+Na]+ 288.86342 140.7
[M+NH4]+ 283.90802 147.3
[M+K]+ 304.83736 146.1
[M-H]- 264.86692 145.4
[M+Na-2H]- 286.84887 146.8
[M]+ 265.87365 143.4
[M]- 265.87475 143.4
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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