CID 22237585

2-bromo-6-iodophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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

No literature data available for this compound.

Patent stripe

patents stripe