CID 106668

66027-80-3

Structural Information

Molecular Formula
C13H16Cl2N2O2
SMILES
CC(C)(C)C(=O)C(C(=O)NC1=C(C=CC(=C1)N)Cl)Cl
InChI
InChI=1S/C13H16Cl2N2O2/c1-13(2,3)11(18)10(15)12(19)17-9-6-7(16)4-5-8(9)14/h4-6,10H,16H2,1-3H3,(H,17,19)
InChIKey
HVCWEXJMNBBKJL-UHFFFAOYSA-N
Compound name
N-(5-amino-2-chlorophenyl)-2-chloro-4,4-dimethyl-3-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06615 166.9
[M+Na]+ 325.04809 174.2
[M-H]- 301.05159 169.9
[M+NH4]+ 320.09269 182.9
[M+K]+ 341.02203 169.4
[M+H-H2O]+ 285.05613 162.9
[M+HCOO]- 347.05707 178.5
[M+CH3COO]- 361.07272 207.1
[M+Na-2H]- 323.03354 167.2
[M]+ 302.05832 169.0
[M]- 302.05942 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.