CID 5235671

3,4-dichloro-n,n-diethylhydrocinnamamide

Structural Information

Molecular Formula
C13H17Cl2NO
SMILES
CCN(CC)C(=O)CCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H17Cl2NO/c1-3-16(4-2)13(17)8-6-10-5-7-11(14)12(15)9-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKey
BFHRGATUTRRSQC-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-N,N-diethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06873 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07601 160.4
[M+Na]+ 296.05795 168.6
[M-H]- 272.06145 164.6
[M+NH4]+ 291.10255 178.8
[M+K]+ 312.03189 163.8
[M+H-H2O]+ 256.06599 155.6
[M+HCOO]- 318.06693 175.0
[M+CH3COO]- 332.08258 203.4
[M+Na-2H]- 294.04340 162.1
[M]+ 273.06818 166.3
[M]- 273.06928 166.3
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.