CID 119004501

2-bromo-6-fluoro-4-iodophenol

Structural Information

Molecular Formula
C6H3BrFIO
SMILES
C1=C(C=C(C(=C1F)O)Br)I
InChI
InChI=1S/C6H3BrFIO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKey
UZSOPBFMUBVILS-UHFFFAOYSA-N
Compound name
2-bromo-6-fluoro-4-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

315.8396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.846876 140.5
[M+Na]+ 338.828818 147.1
[M-H]- 314.832324 138.5
[M+NH4]+ 333.873423 158.0
[M+K]+ 354.802758 141.7
[M+H-H2O]+ 298.836860 137.0
[M+HCOO]- 360.837801 156.1
[M+CH3COO]- 374.853451 189.5
[M+Na-2H]- 336.814266 136.1
[M]+ 315.83905142 154.1
[M]- 315.84014858 154.1
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