CID 151915

2,4,6-tribromo-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H3Br3O3
SMILES
C1=C(C(=C(C(=C1Br)O)Br)C(=O)O)Br
InChI
InChI=1S/C7H3Br3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)
InChIKey
YDBHVMTTYXWHLI-UHFFFAOYSA-N
Compound name
2,4,6-tribromo-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

653
Patents

371.76324 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.77052 139.9
[M+Na]+ 394.75246 147.9
[M-H]- 370.75596 144.1
[M+NH4]+ 389.79706 153.6
[M+K]+ 410.72640 132.3
[M+H-H2O]+ 354.76050 154.2
[M+HCOO]- 416.76144 148.6
[M+CH3COO]- 430.77709 219.0
[M+Na-2H]- 392.73791 143.8
[M]+ 371.76269 180.1
[M]- 371.76379 180.1
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