CID 30961

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

229.05057 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.057846 146.3
[M+Na]+ 252.039788 155.0
[M-H]- 228.043294 150.3
[M+NH4]+ 247.084393 165.4
[M+K]+ 268.013728 152.4
[M+H-H2O]+ 212.047830 141.1
[M+HCOO]- 274.048771 167.0
[M+CH3COO]- 288.064421 190.7
[M+Na-2H]- 250.025236 151.2
[M]+ 229.05002142 151.6
[M]- 229.05111858 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