CID 13246221

2-bromo-3,6-dichlorophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

No literature data available for this compound.

Patent stripe

patents stripe