CID 16022

4-bromo-2,5-dichlorophenol

Structural Information

Molecular Formula
C6H3BrCl2O
SMILES
C1=C(C(=CC(=C1Cl)Br)Cl)O
InChI
InChI=1S/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey
HWWKEEKUMAZJLL-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

430
Patents

239.87444 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.88172 132.4
[M+Na]+ 262.86366 147.9
[M-H]- 238.86716 137.8
[M+NH4]+ 257.90826 155.1
[M+K]+ 278.83760 133.8
[M+H-H2O]+ 222.87170 135.4
[M+HCOO]- 284.87264 145.0
[M+CH3COO]- 298.88829 184.3
[M+Na-2H]- 260.84911 139.9
[M]+ 239.87389 153.0
[M]- 239.87499 153.0
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