CID 121591502

3-bromo-2,4-difluorobenzyl bromide

Structural Information

Molecular Formula
C7H4Br2F2
SMILES
C1=CC(=C(C(=C1CBr)F)Br)F
InChI
InChI=1S/C7H4Br2F2/c8-3-4-1-2-5(10)6(9)7(4)11/h1-2H,3H2
InChIKey
WEDGOCNIGNBUFQ-UHFFFAOYSA-N
Compound name
3-bromo-1-(bromomethyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.86478 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.87206 137.7
[M+Na]+ 306.85400 150.4
[M-H]- 282.85750 143.1
[M+NH4]+ 301.89860 157.8
[M+K]+ 322.82794 134.6
[M+H-H2O]+ 266.86204 145.0
[M+HCOO]- 328.86298 153.2
[M+CH3COO]- 342.87863 202.2
[M+Na-2H]- 304.83945 144.3
[M]+ 283.86423 169.9
[M]- 283.86533 169.9
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

No patent data available for this compound.