CID 97291

3,5-dibromo-2,6-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H4Br2O4
SMILES
C1=C(C(=C(C(=C1Br)O)C(=O)O)O)Br
InChI
InChI=1S/C7H4Br2O4/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,10-11H,(H,12,13)
InChIKey
GOHWHEONKZIHTR-UHFFFAOYSA-N
Compound name
3,5-dibromo-2,6-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

309.84763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.85491 139.4
[M+Na]+ 332.83685 150.4
[M-H]- 308.84035 143.4
[M+NH4]+ 327.88145 156.5
[M+K]+ 348.81079 134.5
[M+H-H2O]+ 292.84489 147.0
[M+HCOO]- 354.84583 152.4
[M+CH3COO]- 368.86148 199.6
[M+Na-2H]- 330.82230 144.0
[M]+ 309.84708 172.3
[M]- 309.84818 172.3
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

patents stripe