CID 3042133

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

Structural Information

Molecular Formula
C7H4Cl2O4
SMILES
C1=C(C(=C(C(=C1Cl)O)Cl)O)C(=O)O
InChI
InChI=1S/C7H4Cl2O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1,10-11H,(H,12,13)
InChIKey
FCOWQHCAVUUGCS-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,4-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

221.94867 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95595 134.3
[M+Na]+ 244.93789 145.8
[M-H]- 220.94139 134.9
[M+NH4]+ 239.98249 152.7
[M+K]+ 260.91183 140.7
[M+H-H2O]+ 204.94593 132.4
[M+HCOO]- 266.94687 145.7
[M+CH3COO]- 280.96252 179.5
[M+Na-2H]- 242.92334 137.3
[M]+ 221.94812 137.0
[M]- 221.94922 137.0
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