CID 112507

62609-85-2

Structural Information

Molecular Formula
C13H14Cl3NO2
SMILES
CC(C)(C)C(=O)C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)Cl
InChI
InChI=1S/C13H14Cl3NO2/c1-13(2,3)11(18)10(16)12(19)17-9-5-4-7(14)6-8(9)15/h4-6,10H,1-3H3,(H,17,19)
InChIKey
NQACSEZYALURGG-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

321.009 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.01628 166.0
[M+Na]+ 343.99822 174.1
[M-H]- 320.00172 168.4
[M+NH4]+ 339.04282 181.8
[M+K]+ 359.97216 168.6
[M+H-H2O]+ 304.00626 163.0
[M+HCOO]- 366.00720 171.9
[M+CH3COO]- 380.02285 207.5
[M+Na-2H]- 341.98367 166.2
[M]+ 321.00845 169.9
[M]- 321.00955 169.9
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