CID 11637604

59908-77-9

Structural Information

Molecular Formula
C12H14ClNO4
SMILES
COC1=CC(=C(C=C1)OC)C(=O)CNC(=O)CCl
InChI
InChI=1S/C12H14ClNO4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKey
FGAJXUVYQBZJHH-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.06113 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.068406 156.8
[M+Na]+ 294.050348 164.6
[M-H]- 270.053854 160.6
[M+NH4]+ 289.094953 173.9
[M+K]+ 310.024288 161.9
[M+H-H2O]+ 254.058390 151.2
[M+HCOO]- 316.059331 176.3
[M+CH3COO]- 330.074981 198.8
[M+Na-2H]- 292.035796 159.6
[M]+ 271.06058142 163.0
[M]- 271.06167858 163.0
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