CID 2452182

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(piperazin-1-yl)acetamide

Structural Information

Molecular Formula
C13H15ClF3N3O
SMILES
C1CN(CCN1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C13H15ClF3N3O/c14-11-2-1-9(7-10(11)13(15,16)17)19-12(21)8-20-5-3-18-4-6-20/h1-2,7,18H,3-6,8H2,(H,19,21)
InChIKey
JWDAIUNVDRCROM-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.08557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09285 169.2
[M+Na]+ 344.07479 175.1
[M-H]- 320.07829 166.9
[M+NH4]+ 339.11939 180.3
[M+K]+ 360.04873 168.6
[M+H-H2O]+ 304.08283 158.6
[M+HCOO]- 366.08377 176.5
[M+CH3COO]- 380.09942 203.1
[M+Na-2H]- 342.06024 170.8
[M]+ 321.08502 161.1
[M]- 321.08612 161.1
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