CID 9830

N-(4-chlorophenyl)-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C8H5ClF3NO
SMILES
C1=CC(=CC=C1NC(=O)C(F)(F)F)Cl
InChI
InChI=1S/C8H5ClF3NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKey
PEFCIPXJRCETGI-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

223.00117 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00845 142.4
[M+Na]+ 245.99039 151.6
[M+NH4]+ 241.03499 148.3
[M+K]+ 261.96433 146.6
[M-H]- 221.99389 139.7
[M+Na-2H]- 243.97584 147.2
[M]+ 223.00062 142.9
[M]- 223.00172 142.9
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