CID 2782750

4-bromo-1-fluoro-2-iodobenzene

Structural Information

Molecular Formula
C6H3BrFI
SMILES
C1=CC(=C(C=C1Br)I)F
InChI
InChI=1S/C6H3BrFI/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
JNETZJWWXCLUKM-UHFFFAOYSA-N
Compound name
4-bromo-1-fluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

552
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

No literature data available for this compound.

Patent stripe

patents stripe