CID 2387088

N-(4-butylphenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C12H16ClNO/c1-2-3-4-10-5-7-11(8-6-10)14-12(15)9-13/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKey
NLIULGTVNKLYBM-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

225.09204 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 150.7
[M+Na]+ 248.081258 157.8
[M-H]- 224.084764 153.9
[M+NH4]+ 243.125863 169.7
[M+K]+ 264.055198 153.4
[M+H-H2O]+ 208.089300 145.2
[M+HCOO]- 270.090241 170.2
[M+CH3COO]- 284.105891 191.4
[M+Na-2H]- 246.066706 155.1
[M]+ 225.09149142 153.4
[M]- 225.09258858 153.4
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

patents stripe