CID 52170551

N-[(3-butoxyphenyl)methyl]-2-chloroacetamide

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CCCCOC1=CC=CC(=C1)CNC(=O)CCl
InChI
InChI=1S/C13H18ClNO2/c1-2-3-7-17-12-6-4-5-11(8-12)10-15-13(16)9-14/h4-6,8H,2-3,7,9-10H2,1H3,(H,15,16)
InChIKey
ARYBKJQMFHUHES-UHFFFAOYSA-N
Compound name
N-[(3-butoxyphenyl)methyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 158.2
[M+Na]+ 278.09182 164.8
[M-H]- 254.09532 161.2
[M+NH4]+ 273.13642 175.9
[M+K]+ 294.06576 160.7
[M+H-H2O]+ 238.09986 152.2
[M+HCOO]- 300.10080 177.6
[M+CH3COO]- 314.11645 196.5
[M+Na-2H]- 276.07727 162.0
[M]+ 255.10205 162.7
[M]- 255.10315 162.7
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.