CID 2773370

1-bromo-4-fluoro-2-iodobenzene

Structural Information

Molecular Formula
C6H3BrFI
SMILES
C1=CC(=C(C=C1F)I)Br
InChI
InChI=1S/C6H3BrFI/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey
QDCBSSUCEUMLGC-UHFFFAOYSA-N
Compound name
1-bromo-4-fluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

299.8447 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.85198 135.6
[M+Na]+ 322.83392 142.0
[M-H]- 298.83742 134.6
[M+NH4]+ 317.87852 154.1
[M+K]+ 338.80786 137.1
[M+H-H2O]+ 282.84196 132.2
[M+HCOO]- 344.84290 152.5
[M+CH3COO]- 358.85855 189.2
[M+Na-2H]- 320.81937 132.5
[M]+ 299.84415 149.3
[M]- 299.84525 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe