CID 4650711

2,3'-dichloro-2'-methoxyacetanilide

Structural Information

Molecular Formula
C9H9Cl2NO2
SMILES
COC1=C(C=CC=C1Cl)NC(=O)CCl
InChI
InChI=1S/C9H9Cl2NO2/c1-14-9-6(11)3-2-4-7(9)12-8(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKey
NDDXXDYOVHCDDY-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-chloro-2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.00104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.00832 144.9
[M+Na]+ 255.99026 154.4
[M-H]- 231.99376 148.3
[M+NH4]+ 251.03486 164.2
[M+K]+ 271.96420 149.9
[M+H-H2O]+ 215.99830 140.9
[M+HCOO]- 277.99924 160.5
[M+CH3COO]- 292.01489 190.2
[M+Na-2H]- 253.97571 149.5
[M]+ 233.00049 149.4
[M]- 233.00159 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

No patent data available for this compound.