CID 3776214

750611-51-9

Structural Information

Molecular Formula
C15H17Cl2NO2
SMILES
CN(C(=O)CCl)C1(CCCCC1=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H17Cl2NO2/c1-18(14(20)10-16)15(9-5-4-8-13(15)19)11-6-2-3-7-12(11)17/h2-3,6-7H,4-5,8-10H2,1H3
InChIKey
OWNJTNDBCTYHKG-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.06363 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07091 167.9
[M+Na]+ 336.05285 174.7
[M-H]- 312.05635 174.7
[M+NH4]+ 331.09745 185.9
[M+K]+ 352.02679 169.9
[M+H-H2O]+ 296.06089 162.6
[M+HCOO]- 358.06183 179.6
[M+CH3COO]- 372.07748 206.8
[M+Na-2H]- 334.03830 169.5
[M]+ 313.06308 169.0
[M]- 313.06418 169.0
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.