CID 210139

21015-13-4

Structural Information

Molecular Formula
C12H13ClF3NO
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C12H13ClF3NO/c1-8(17-11(18)7-13)5-9-3-2-4-10(6-9)12(14,15)16/h2-4,6,8H,5,7H2,1H3,(H,17,18)
InChIKey
GECNVUCCRYGYOX-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 159.5
[M+Na]+ 302.05300 167.6
[M+NH4]+ 297.09760 164.6
[M+K]+ 318.02694 162.5
[M-H]- 278.05650 156.5
[M+Na-2H]- 300.03845 162.9
[M]+ 279.06323 159.7
[M]- 279.06433 159.7
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

patents stripe