CID 622177

4186-54-3

Structural Information

Molecular Formula
C7H5Br3O
SMILES
C1=C(C=C(C(=C1CBr)O)Br)Br
InChI
InChI=1S/C7H5Br3O/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2,11H,3H2
InChIKey
SPUZPJKEJXIRSF-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(bromomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

341.78906 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.79634 136.2
[M+Na]+ 364.77828 144.8
[M-H]- 340.78178 141.3
[M+NH4]+ 359.82288 151.3
[M+K]+ 380.75222 129.3
[M+H-H2O]+ 324.78632 151.2
[M+HCOO]- 386.78726 146.3
[M+CH3COO]- 400.80291 217.5
[M+Na-2H]- 362.76373 141.8
[M]+ 341.78851 176.7
[M]- 341.78961 176.7
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