CID 22823

2-amino-3,4,6-trichlorophenol

Structural Information

Molecular Formula
C6H4Cl3NO
SMILES
C1=C(C(=C(C(=C1Cl)Cl)N)O)Cl
InChI
InChI=1S/C6H4Cl3NO/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H,10H2
InChIKey
QQDKXJSYZGJGKJ-UHFFFAOYSA-N
Compound name
2-amino-3,4,6-trichlorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

259
Patents

210.93585 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.943126 136.2
[M+Na]+ 233.925068 148.1
[M-H]- 209.928574 137.4
[M+NH4]+ 228.969673 155.8
[M+K]+ 249.899008 141.9
[M+H-H2O]+ 193.933110 134.4
[M+HCOO]- 255.934051 145.6
[M+CH3COO]- 269.949701 184.9
[M+Na-2H]- 231.910516 139.5
[M]+ 210.93530142 137.3
[M]- 210.93639858 137.3
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