CID 18844

3,6-dichloro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4Cl2O3
SMILES
C1=CC(=C(C(=C1Cl)C(=O)O)O)Cl
InChI
InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)
InChIKey
FKIKPQHMWFZFEB-UHFFFAOYSA-N
Compound name
3,6-dichloro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

5615
Patents

205.95375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96103 132.1
[M+Na]+ 228.94297 143.4
[M-H]- 204.94647 133.7
[M+NH4]+ 223.98757 151.7
[M+K]+ 244.91691 138.3
[M+H-H2O]+ 188.95101 129.9
[M+HCOO]- 250.95195 144.8
[M+CH3COO]- 264.96760 178.4
[M+Na-2H]- 226.92842 136.3
[M]+ 205.95320 134.9
[M]- 205.95430 134.9
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