CID 243584

N-(4-chloro-2,5-dimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C10H12ClNO3
SMILES
CC(=O)NC1=CC(=C(C=C1OC)Cl)OC
InChI
InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13)
InChIKey
OQKSIDOPPLSAOL-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

229.05057 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.057846 145.8
[M+Na]+ 252.039788 155.4
[M-H]- 228.043294 150.2
[M+NH4]+ 247.084393 165.2
[M+K]+ 268.013728 152.8
[M+H-H2O]+ 212.047830 140.9
[M+HCOO]- 274.048771 166.4
[M+CH3COO]- 288.064421 191.9
[M+Na-2H]- 250.025236 150.0
[M]+ 229.05002142 151.5
[M]- 229.05111858 151.5
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