CID 13166828

2,4-dichloro-6-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4Cl2O3
SMILES
C1=C(C=C(C(=C1O)C(=O)O)Cl)Cl
InChI
InChI=1S/C7H4Cl2O3/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,10H,(H,11,12)
InChIKey
GHXWAANNBILSEF-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

205.95375 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96103 134.3
[M+Na]+ 228.94297 148.3
[M+NH4]+ 223.98757 142.4
[M+K]+ 244.91691 142.7
[M-H]- 204.94647 134.8
[M+Na-2H]- 226.92842 140.2
[M]+ 205.95320 137.0
[M]- 205.95430 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