CID 2303719

2-chloro-n-(3,5-dimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C10H12ClNO3
SMILES
COC1=CC(=CC(=C1)NC(=O)CCl)OC
InChI
InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
OAFXUKHPQCSRPT-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,5-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

229.05057 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05785 146.3
[M+Na]+ 252.03979 155.0
[M-H]- 228.04329 150.3
[M+NH4]+ 247.08439 165.4
[M+K]+ 268.01373 152.4
[M+H-H2O]+ 212.04783 141.1
[M+HCOO]- 274.04877 167.0
[M+CH3COO]- 288.06442 190.7
[M+Na-2H]- 250.02524 151.2
[M]+ 229.05002 151.6
[M]- 229.05112 151.6
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