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

374
Patents

251.85855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.86583 129.7
[M+Na]+ 274.84777 142.1
[M-H]- 250.85127 136.0
[M+NH4]+ 269.89237 150.7
[M+K]+ 290.82171 126.9
[M+H-H2O]+ 234.85581 138.0
[M+HCOO]- 296.85675 146.3
[M+CH3COO]- 310.87240 197.0
[M+Na-2H]- 272.83322 138.0
[M]+ 251.85800 162.4
[M]- 251.85910 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