CID 80037

4-amino-2,6-dichlorophenol

Structural Information

Molecular Formula
C6H5Cl2NO
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)N
InChI
InChI=1S/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
InChIKey
KGEXISHTCZHGFT-UHFFFAOYSA-N
Compound name
4-amino-2,6-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

3602
Patents

176.97482 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98210 129.0
[M+Na]+ 199.96404 143.4
[M+NH4]+ 195.00864 138.4
[M+K]+ 215.93798 136.6
[M-H]- 175.96754 131.5
[M+Na-2H]- 197.94949 136.2
[M]+ 176.97427 132.3
[M]- 176.97537 132.3
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