CID 2303715

2-chloro-n-(3,4-dimethoxyphenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

229.05057 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe