CID 218639

3,5-dibromo-2,4,6-trichlorophenol

Structural Information

Molecular Formula
C6HBr2Cl3O
SMILES
C1(=C(C(=C(C(=C1Cl)Br)Cl)Br)Cl)O
InChI
InChI=1S/C6HBr2Cl3O/c7-1-3(9)2(8)5(11)6(12)4(1)10/h12H
InChIKey
LXQGLQLYEJWANF-UHFFFAOYSA-N
Compound name
3,5-dibromo-2,4,6-trichlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

351.74597 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.75325 140.5
[M+Na]+ 374.73519 156.1
[M-H]- 350.73869 146.0
[M+NH4]+ 369.77979 159.4
[M+K]+ 390.70913 137.1
[M+H-H2O]+ 334.74323 150.7
[M+HCOO]- 396.74417 144.9
[M+CH3COO]- 410.75982 207.6
[M+Na-2H]- 372.72064 145.8
[M]+ 351.74542 175.0
[M]- 351.74652 175.0
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