CID 3606209

N-[2-(butan-2-yl)phenyl]-2-chloroacetamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCC(C)C1=CC=CC=C1NC(=O)CCl
InChI
InChI=1S/C12H16ClNO/c1-3-9(2)10-6-4-5-7-11(10)14-12(15)8-13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKey
CFRLWPOECXAQDT-UHFFFAOYSA-N
Compound name
N-(2-butan-2-ylphenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 150.8
[M+Na]+ 248.081258 157.6
[M-H]- 224.084764 154.1
[M+NH4]+ 243.125863 169.7
[M+K]+ 264.055198 153.7
[M+H-H2O]+ 208.089300 145.4
[M+HCOO]- 270.090241 169.3
[M+CH3COO]- 284.105891 192.3
[M+Na-2H]- 246.066706 154.0
[M]+ 225.09149142 152.9
[M]- 225.09258858 152.9
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.