CID 82082

Methyl 3,5-dichloro-2-hydroxybenzoate

Structural Information

Molecular Formula
C8H6Cl2O3
SMILES
COC(=O)C1=C(C(=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C8H6Cl2O3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3
InChIKey
WFPHSUSTKMYQDI-UHFFFAOYSA-N
Compound name
methyl 3,5-dichloro-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

219.9694 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97668 138.4
[M+Na]+ 242.95862 152.7
[M+NH4]+ 238.00322 146.6
[M+K]+ 258.93256 146.6
[M-H]- 218.96212 139.3
[M+Na-2H]- 240.94407 144.5
[M]+ 219.96885 141.2
[M]- 219.96995 141.2
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