CID 20533707

2,3-dichloro-5-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4Cl2O3
SMILES
C1=C(C=C(C(=C1C(=O)O)Cl)Cl)O
InChI
InChI=1S/C7H4Cl2O3/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2,10H,(H,11,12)
InChIKey
DEXDEXDDAQUGTG-UHFFFAOYSA-N
Compound name
2,3-dichloro-5-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.95375 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.961026 132.1
[M+Na]+ 228.942968 143.4
[M-H]- 204.946474 133.7
[M+NH4]+ 223.987573 151.7
[M+K]+ 244.916908 138.3
[M+H-H2O]+ 188.951010 129.9
[M+HCOO]- 250.951951 144.8
[M+CH3COO]- 264.967601 178.4
[M+Na-2H]- 226.928416 136.3
[M]+ 205.95320142 134.9
[M]- 205.95429858 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

No literature data available for this compound.

Patent stripe

patents stripe