CID 10082180

N-(3,5-dichloro-4-hydroxyphenyl)acetamide

Structural Information

Molecular Formula
C8H7Cl2NO2
SMILES
CC(=O)NC1=CC(=C(C(=C1)Cl)O)Cl
InChI
InChI=1S/C8H7Cl2NO2/c1-4(12)11-5-2-6(9)8(13)7(10)3-5/h2-3,13H,1H3,(H,11,12)
InChIKey
METFEORCOGUCCZ-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-4-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

218.98538 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.992656 140.1
[M+Na]+ 241.974598 150.6
[M-H]- 217.978104 142.7
[M+NH4]+ 237.019203 159.6
[M+K]+ 257.948538 145.5
[M+H-H2O]+ 201.982640 137.0
[M+HCOO]- 263.983581 154.6
[M+CH3COO]- 277.999231 186.0
[M+Na-2H]- 239.960046 144.1
[M]+ 218.98483142 142.7
[M]- 218.98592858 142.7
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