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]+ 294.86000 137.1
[M+Na]+ 316.84194 148.2
[M-H]- 292.84544 142.2
[M+NH4]+ 311.88654 155.3
[M+K]+ 332.81588 132.6
[M+H-H2O]+ 276.84998 145.1
[M+HCOO]- 338.85092 151.4
[M+CH3COO]- 352.86657 198.7
[M+Na-2H]- 314.82739 142.8
[M]+ 293.85217 170.3
[M]- 293.85327 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.