CID 113064

63134-34-9

Structural Information

Molecular Formula
C13H15Cl2NO2
SMILES
CC(C)(C)C(=O)CC(=O)NC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H15Cl2NO2/c1-13(2,3)11(17)7-12(18)16-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H,16,18)
InChIKey
NUIAEWCYEUQGBK-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

287.04797 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05525 161.7
[M+Na]+ 310.03719 170.1
[M-H]- 286.04069 165.1
[M+NH4]+ 305.08179 178.9
[M+K]+ 326.01113 165.0
[M+H-H2O]+ 270.04523 157.8
[M+HCOO]- 332.04617 173.8
[M+CH3COO]- 346.06182 201.7
[M+Na-2H]- 308.02264 163.9
[M]+ 287.04742 165.9
[M]- 287.04852 165.9
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