CID 19935923

4-bromo-2-chloro-6-iodophenol

Structural Information

Molecular Formula
C6H3BrClIO
SMILES
C1=C(C=C(C(=C1Cl)O)I)Br
InChI
InChI=1S/C6H3BrClIO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
ONIPWRPZFYYPRX-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-6-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

331.81006 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.81734 140.3
[M+Na]+ 354.79928 147.9
[M-H]- 330.80278 139.5
[M+NH4]+ 349.84388 158.2
[M+K]+ 370.77322 141.0
[M+H-H2O]+ 314.80732 138.5
[M+HCOO]- 376.80826 152.9
[M+CH3COO]- 390.82391 190.5
[M+Na-2H]- 352.78473 136.5
[M]+ 331.80951 156.7
[M]- 331.81061 156.7
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

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