CID 11839

2,4,6-tribromoanisole

Structural Information

Molecular Formula
C7H5Br3O
SMILES
COC1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey
YXTRCOAFNXQTKL-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

54
References

343
Patents

341.78906 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.79634 134.6
[M+Na]+ 364.77828 143.6
[M-H]- 340.78178 140.5
[M+NH4]+ 359.82288 150.2
[M+K]+ 380.75222 128.7
[M+H-H2O]+ 324.78632 149.7
[M+HCOO]- 386.78726 145.6
[M+CH3COO]- 400.80291 218.8
[M+Na-2H]- 362.76373 140.7
[M]+ 341.78851 176.2
[M]- 341.78961 176.2
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