CID 715673

N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C12H13ClF3NO
SMILES
CC(C)(C)C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F
InChI
InChI=1S/C12H13ClF3NO/c1-11(2,3)10(18)17-7-4-5-9(13)8(6-7)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKey
PBVCSEASIYSIDH-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

88
Patents

279.06378 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07106 156.8
[M+Na]+ 302.05300 166.1
[M-H]- 278.05650 157.1
[M+NH4]+ 297.09760 174.1
[M+K]+ 318.02694 161.4
[M+H-H2O]+ 262.06104 149.9
[M+HCOO]- 324.06198 170.1
[M+CH3COO]- 338.07763 200.3
[M+Na-2H]- 300.03845 160.5
[M]+ 279.06323 155.3
[M]- 279.06433 155.3
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

patents stripe