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

3
Patents

205.95375 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe