CID 20737

2,4,6-tribromo-3-methylphenol

Structural Information

Molecular Formula
C7H5Br3O
SMILES
CC1=C(C(=C(C=C1Br)Br)O)Br
InChI
InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
InChIKey
QKHROXOPRBWBDD-UHFFFAOYSA-N
Compound name
2,4,6-tribromo-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

560
Patents

341.78906 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.79634 135.5
[M+Na]+ 364.77828 144.5
[M-H]- 340.78178 140.8
[M+NH4]+ 359.82288 150.7
[M+K]+ 380.75222 129.0
[M+H-H2O]+ 324.78632 150.5
[M+HCOO]- 386.78726 145.6
[M+CH3COO]- 400.80291 218.1
[M+Na-2H]- 362.76373 140.8
[M]+ 341.78851 176.1
[M]- 341.78961 176.1
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