CID 11162338

3-bromo-2-iodophenol

Structural Information

Molecular Formula
C6H4BrIO
SMILES
C1=CC(=C(C(=C1)Br)I)O
InChI
InChI=1S/C6H4BrIO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChIKey
WJJYPSTVJBRTGK-UHFFFAOYSA-N
Compound name
3-bromo-2-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

297.84903 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.85631 138.6
[M+Na]+ 320.83825 144.4
[M-H]- 296.84175 137.5
[M+NH4]+ 315.88285 156.5
[M+K]+ 336.81219 139.5
[M+H-H2O]+ 280.84629 135.9
[M+HCOO]- 342.84723 155.2
[M+CH3COO]- 356.86288 186.1
[M+Na-2H]- 318.82370 135.3
[M]+ 297.84848 152.9
[M]- 297.84958 152.9
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