CID 4962500

2-chloro-n,n-diethyl-2-phenylacetamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCN(CC)C(=O)C(C1=CC=CC=C1)Cl
InChI
InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)11(13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey
XGCSCGPEXJYFRH-UHFFFAOYSA-N
Compound name
2-chloro-N,N-diethyl-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

225.09204 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 150.9
[M+Na]+ 248.081258 157.0
[M-H]- 224.084764 155.4
[M+NH4]+ 243.125863 170.2
[M+K]+ 264.055198 154.4
[M+H-H2O]+ 208.089300 145.1
[M+HCOO]- 270.090241 169.9
[M+CH3COO]- 284.105891 194.7
[M+Na-2H]- 246.066706 154.1
[M]+ 225.09149142 153.9
[M]- 225.09258858 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe