CID 14071460

1,3-dibromo-2-fluorobenzene

Structural Information

Molecular Formula
C6H3Br2F
SMILES
C1=CC(=C(C(=C1)Br)F)Br
InChI
InChI=1S/C6H3Br2F/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
GPPYYGWYUFOWSR-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

354
Patents

251.85855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.865826 129.7
[M+Na]+ 274.847768 142.1
[M-H]- 250.851274 136.0
[M+NH4]+ 269.892373 150.7
[M+K]+ 290.821708 126.9
[M+H-H2O]+ 234.855810 138.0
[M+HCOO]- 296.856751 146.3
[M+CH3COO]- 310.872401 197.0
[M+Na-2H]- 272.833216 138.0
[M]+ 251.85800142 162.4
[M]- 251.85909858 162.4
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