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

5
Patents

351.74597 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.753246 140.5
[M+Na]+ 374.735188 156.1
[M-H]- 350.738694 146.0
[M+NH4]+ 369.779793 159.4
[M+K]+ 390.709128 137.1
[M+H-H2O]+ 334.743230 150.7
[M+HCOO]- 396.744171 144.9
[M+CH3COO]- 410.759821 207.6
[M+Na-2H]- 372.720636 145.8
[M]+ 351.74542142 175.0
[M]- 351.74651858 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