CID 2392406

N-benzyl-2-chloro-n-ethylacetamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CCN(CC1=CC=CC=C1)C(=O)CCl
InChI
InChI=1S/C11H14ClNO/c1-2-13(11(14)8-12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
OFUGAFLNLROZAL-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

211.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 146.3
[M+Na]+ 234.065608 153.0
[M-H]- 210.069114 150.8
[M+NH4]+ 229.110213 166.2
[M+K]+ 250.039548 150.2
[M+H-H2O]+ 194.073650 140.5
[M+HCOO]- 256.074591 166.6
[M+CH3COO]- 270.090241 190.8
[M+Na-2H]- 232.051056 151.2
[M]+ 211.07584142 149.5
[M]- 211.07693858 149.5
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