CID 3379773

3,5-dibromo-2,4-dihydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

309.84763 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe