CID 776663

2-chloro-n-(5-chloro-2-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C9H9Cl2NO2
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)CCl
InChI
InChI=1S/C9H9Cl2NO2/c1-14-8-3-2-6(11)4-7(8)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKey
SPULYDBQXNEJJC-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

233.00104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.008316 144.9
[M+Na]+ 255.990258 154.4
[M-H]- 231.993764 148.3
[M+NH4]+ 251.034863 164.2
[M+K]+ 271.964198 149.9
[M+H-H2O]+ 215.998300 140.9
[M+HCOO]- 277.999241 160.5
[M+CH3COO]- 292.014891 190.2
[M+Na-2H]- 253.975706 149.5
[M]+ 233.00049142 149.4
[M]- 233.00158858 149.4
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