CID 18464

3,5-dibromo-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4Br2O3
SMILES
C1=C(C=C(C(=C1C(=O)O)O)Br)Br
InChI
InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
BFBZHSOXKROMBG-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

928
Patents

293.85272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.859996 137.1
[M+Na]+ 316.841938 148.2
[M-H]- 292.845444 142.2
[M+NH4]+ 311.886543 155.3
[M+K]+ 332.815878 132.6
[M+H-H2O]+ 276.849980 145.1
[M+HCOO]- 338.850921 151.4
[M+CH3COO]- 352.866571 198.7
[M+Na-2H]- 314.827386 142.8
[M]+ 293.85217142 170.3
[M]- 293.85326858 170.3
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