CID 186076

2,6-dichloro-3-hydroxybenzamide

Structural Information

Molecular Formula
C7H5Cl2NO2
SMILES
C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl
InChI
InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)
InChIKey
WCSKGUMNEYMMBE-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

204.96973 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.977006 135.8
[M+Na]+ 227.958948 146.6
[M-H]- 203.962454 138.0
[M+NH4]+ 223.003553 155.4
[M+K]+ 243.932888 141.4
[M+H-H2O]+ 187.966990 132.9
[M+HCOO]- 249.967931 150.0
[M+CH3COO]- 263.983581 183.1
[M+Na-2H]- 225.944396 139.3
[M]+ 204.96918142 137.1
[M]- 204.97027858 137.1
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