CID 46835330

2-bromo-5-iodophenol

Structural Information

Molecular Formula
C6H4BrIO
SMILES
C1=CC(=C(C=C1I)O)Br
InChI
InChI=1S/C6H4BrIO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
InChIKey
VRITXTVQJJMQIT-UHFFFAOYSA-N
Compound name
2-bromo-5-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

297.84903 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.856306 138.6
[M+Na]+ 320.838248 144.4
[M-H]- 296.841754 137.5
[M+NH4]+ 315.882853 156.5
[M+K]+ 336.812188 139.5
[M+H-H2O]+ 280.846290 135.9
[M+HCOO]- 342.847231 155.2
[M+CH3COO]- 356.862881 186.1
[M+Na-2H]- 318.823696 135.3
[M]+ 297.84848142 152.9
[M]- 297.84957858 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