CID 131489073

4-bromo-2-chloro-5-iodophenol

Structural Information

Molecular Formula
C6H3BrClIO
SMILES
C1=C(C(=CC(=C1I)Br)Cl)O
InChI
InChI=1S/C6H3BrClIO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H
InChIKey
CRTGJCONBCCZTQ-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-5-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe