CID 246577

2,4,6-tribromobenzoic acid

Structural Information

Molecular Formula
C7H3Br3O2
SMILES
C1=C(C=C(C(=C1Br)C(=O)O)Br)Br
InChI
InChI=1S/C7H3Br3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey
GHVMJSHEGZYRQL-UHFFFAOYSA-N
Compound name
2,4,6-tribromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

355.7683 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.77558 137.9
[M+Na]+ 378.75752 146.2
[M-H]- 354.76102 142.9
[M+NH4]+ 373.80212 152.5
[M+K]+ 394.73146 130.8
[M+H-H2O]+ 338.76556 152.7
[M+HCOO]- 400.76650 147.6
[M+CH3COO]- 414.78215 218.5
[M+Na-2H]- 376.74297 142.7
[M]+ 355.76775 178.4
[M]- 355.76885 178.4
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