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
2
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]+ 303.066146 166.9
[M+Na]+ 325.048088 174.2
[M-H]- 301.051594 169.9
[M+NH4]+ 320.092693 182.9
[M+K]+ 341.022028 169.4
[M+H-H2O]+ 285.056130 162.9
[M+HCOO]- 347.057071 178.5
[M+CH3COO]- 361.072721 207.1
[M+Na-2H]- 323.033536 167.2
[M]+ 302.05832142 169.0
[M]- 302.05941858 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.