CID 22562336

221148-37-4

Structural Information

Molecular Formula
C8H5Br2F
SMILES
C1=CC(=CC(=C1)F)C=C(Br)Br
InChI
InChI=1S/C8H5Br2F/c9-8(10)5-6-2-1-3-7(11)4-6/h1-5H
InChIKey
WEKYBTNENFEUME-UHFFFAOYSA-N
Compound name
1-(2,2-dibromoethenyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

277.8742 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.88148 138.6
[M+Na]+ 300.86342 149.7
[M-H]- 276.86692 144.5
[M+NH4]+ 295.90802 158.4
[M+K]+ 316.83736 133.9
[M+H-H2O]+ 260.87146 146.5
[M+HCOO]- 322.87240 154.0
[M+CH3COO]- 336.88805 200.1
[M+Na-2H]- 298.84887 145.4
[M]+ 277.87365 170.4
[M]- 277.87475 170.4
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