CID 22392581

3-amino-2,6-dichlorophenol

Structural Information

Molecular Formula
C6H5Cl2NO
SMILES
C1=CC(=C(C(=C1N)Cl)O)Cl
InChI
InChI=1S/C6H5Cl2NO/c7-3-1-2-4(9)5(8)6(3)10/h1-2,10H,9H2
InChIKey
NMYVUWQZPPDNPV-UHFFFAOYSA-N
Compound name
3-amino-2,6-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

176.97482 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.982096 129.9
[M+Na]+ 199.964038 141.2
[M-H]- 175.967544 132.1
[M+NH4]+ 195.008643 150.9
[M+K]+ 215.937978 135.8
[M+H-H2O]+ 159.972080 127.2
[M+HCOO]- 221.973021 144.9
[M+CH3COO]- 235.988671 178.0
[M+Na-2H]- 197.949486 135.1
[M]+ 176.97427142 130.7
[M]- 176.97536858 130.7
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