CID 53910

77966-53-1

Structural Information

Molecular Formula
C13H16ClF3N2O
SMILES
CCN(CC)CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C13H16ClF3N2O/c1-3-19(4-2)8-12(20)18-11-7-9(13(15,16)17)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3,(H,18,20)
InChIKey
LBXDGBBEWMVFLT-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.09033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09761 166.6
[M+Na]+ 331.07955 174.1
[M-H]- 307.08305 167.5
[M+NH4]+ 326.12415 182.7
[M+K]+ 347.05349 170.0
[M+H-H2O]+ 291.08759 158.1
[M+HCOO]- 353.08853 182.5
[M+CH3COO]- 367.10418 211.8
[M+Na-2H]- 329.06500 168.3
[M]+ 308.08978 166.5
[M]- 308.09088 166.5
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

No patent data available for this compound.