CID 131337683

2,3-dibromo-5-hydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.85272 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.