CID 23509619

216755-57-6

Structural Information

Molecular Formula
C7H5Br2F
SMILES
C1=C(C=C(C=C1F)Br)CBr
InChI
InChI=1S/C7H5Br2F/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKey
DAUWIPUGOIFZNF-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethyl)-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
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

No literature data available for this compound.

Patent stripe

patents stripe