CID 76857

3,5-dibromo-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4Br2O3
SMILES
C1=C(C=C(C(=C1Br)O)Br)C(=O)O
InChI
InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey
PHWAJJWKNLWZGJ-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

513
Patents

293.85272 Da
Monoisotopic Mass

3.3
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

literature stripe

Patent stripe

patents stripe