CID 11087961

Schembl7022082

Structural Information

Molecular Formula
C14H17Cl2NO2
SMILES
CCC(C)(C(=O)C)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl
InChI
InChI=1S/C14H17Cl2NO2/c1-5-14(4,9(3)18)17-13(19)10-6-11(15)8(2)12(16)7-10/h6-7H,5H2,1-4H3,(H,17,19)
InChIKey
UKKKGCZFKPKTPL-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

18
Patents

301.06363 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07091 165.3
[M+Na]+ 324.05285 174.1
[M-H]- 300.05635 168.8
[M+NH4]+ 319.09745 182.2
[M+K]+ 340.02679 168.9
[M+H-H2O]+ 284.06089 161.5
[M+HCOO]- 346.06183 177.0
[M+CH3COO]- 360.07748 206.6
[M+Na-2H]- 322.03830 166.4
[M]+ 301.06308 170.4
[M]- 301.06418 170.4
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.