CID 3783853

3-chloro-2,2-dimethyl-n-[4-(trifluoromethyl)phenyl]propanamide

Structural Information

Molecular Formula
C12H13ClF3NO
SMILES
CC(C)(CCl)C(=O)NC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C12H13ClF3NO/c1-11(2,7-13)10(18)17-9-5-3-8(4-6-9)12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey
QCQZFHOGRCQNIH-UHFFFAOYSA-N
Compound name
3-chloro-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

279.06378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07106 157.2
[M+Na]+ 302.05300 165.4
[M-H]- 278.05650 157.0
[M+NH4]+ 297.09760 174.1
[M+K]+ 318.02694 160.6
[M+H-H2O]+ 262.06104 149.9
[M+HCOO]- 324.06198 170.4
[M+CH3COO]- 338.07763 199.7
[M+Na-2H]- 300.03845 161.5
[M]+ 279.06323 155.4
[M]- 279.06433 155.4
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