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 157.4
[M+Na]+ 302.05300 164.9
[M-H]- 278.05650 156.9
[M+NH4]+ 297.09760 174.1
[M+K]+ 318.02694 160.1
[M+H-H2O]+ 262.06104 149.6
[M+HCOO]- 324.06198 171.2
[M+CH3COO]- 338.07763 200.1
[M+Na-2H]- 300.03845 159.6
[M]+ 279.06323 155.5
[M]- 279.06433 155.5
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