CID 50987933

2-chloro-n-[(3-propoxyphenyl)methyl]acetamide

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CCCOC1=CC=CC(=C1)CNC(=O)CCl
InChI
InChI=1S/C12H16ClNO2/c1-2-6-16-11-5-3-4-10(7-11)9-14-12(15)8-13/h3-5,7H,2,6,8-9H2,1H3,(H,14,15)
InChIKey
MBRQHNKSBMHHOB-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3-propoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.094236 153.5
[M+Na]+ 264.076178 160.5
[M-H]- 240.079684 156.7
[M+NH4]+ 259.120783 171.8
[M+K]+ 280.050118 156.7
[M+H-H2O]+ 224.084220 147.8
[M+HCOO]- 286.085161 173.2
[M+CH3COO]- 300.100811 193.5
[M+Na-2H]- 262.061626 157.9
[M]+ 241.08641142 157.6
[M]- 241.08750858 157.6
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

No patent data available for this compound.