CID 122236919

3-bromo-5-fluoro-2-iodophenol

Structural Information

Molecular Formula
C6H3BrFIO
SMILES
C1=C(C=C(C(=C1O)I)Br)F
InChI
InChI=1S/C6H3BrFIO/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H
InChIKey
YOLDNFNVSIYJRC-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-2-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

315.8396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.84688 140.5
[M+Na]+ 338.82882 147.1
[M-H]- 314.83232 138.5
[M+NH4]+ 333.87342 158.0
[M+K]+ 354.80276 141.7
[M+H-H2O]+ 298.83686 137.0
[M+HCOO]- 360.83780 156.1
[M+CH3COO]- 374.85345 189.5
[M+Na-2H]- 336.81427 136.1
[M]+ 315.83905 154.1
[M]- 315.84015 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