CID 14593783

N-(2,4-dichloro-5-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C9H9Cl2NO2
SMILES
CC(=O)NC1=CC(=C(C=C1Cl)Cl)OC
InChI
InChI=1S/C9H9Cl2NO2/c1-5(13)12-8-4-9(14-2)7(11)3-6(8)10/h3-4H,1-2H3,(H,12,13)
InChIKey
CTRIHOCZGTYVOA-UHFFFAOYSA-N
Compound name
N-(2,4-dichloro-5-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

233.00104 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.008316 144.4
[M+Na]+ 255.990258 154.9
[M-H]- 231.993764 148.2
[M+NH4]+ 251.034863 164.0
[M+K]+ 271.964198 150.4
[M+H-H2O]+ 215.998300 140.7
[M+HCOO]- 277.999241 160.0
[M+CH3COO]- 292.014891 191.4
[M+Na-2H]- 253.975706 148.4
[M]+ 233.00049142 149.3
[M]- 233.00158858 149.3
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