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]+ 256.109876 158.2
[M+Na]+ 278.091818 164.8
[M-H]- 254.095324 161.2
[M+NH4]+ 273.136423 175.9
[M+K]+ 294.065758 160.7
[M+H-H2O]+ 238.099860 152.2
[M+HCOO]- 300.100801 177.6
[M+CH3COO]- 314.116451 196.5
[M+Na-2H]- 276.077266 162.0
[M]+ 255.10205142 162.7
[M]- 255.10314858 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.