CID 2726368

Ccg-1802

Structural Information

Molecular Formula
C13H14ClF3N2O2
SMILES
CC(C)(C)C(=O)NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C13H14ClF3N2O2/c1-12(2,3)10(20)19-11(21)18-9-6-7(13(15,16)17)4-5-8(9)14/h4-6H,1-3H3,(H2,18,19,20,21)
InChIKey
FERNCHDKWLTCSD-UHFFFAOYSA-N
Compound name
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.06958 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.076856 167.7
[M+Na]+ 345.058798 175.6
[M-H]- 321.062304 167.9
[M+NH4]+ 340.103403 182.8
[M+K]+ 361.032738 171.4
[M+H-H2O]+ 305.066840 160.3
[M+HCOO]- 367.067781 181.1
[M+CH3COO]- 381.083431 209.0
[M+Na-2H]- 343.044246 170.2
[M]+ 322.06903142 165.7
[M]- 322.07012858 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.