CID 96338

2-chloro-n-(2,6-diethylphenyl)acetamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)CCl
InChI
InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKey
LBJVHMAYBNQJBK-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-diethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

145
Patents

225.09204 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 150.2
[M+Na]+ 248.08126 158.3
[M-H]- 224.08476 153.9
[M+NH4]+ 243.12586 169.6
[M+K]+ 264.05520 153.9
[M+H-H2O]+ 208.08930 145.0
[M+HCOO]- 270.09024 169.7
[M+CH3COO]- 284.10589 192.6
[M+Na-2H]- 246.06671 153.9
[M]+ 225.09149 153.3
[M]- 225.09259 153.3
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