CID 532127

N-(3-chlorophenyl)-2,2,2-trifluoroacetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

223.00117 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.008446 138.7
[M+Na]+ 245.990388 148.2
[M-H]- 221.993894 138.8
[M+NH4]+ 241.034993 157.7
[M+K]+ 261.964328 143.9
[M+H-H2O]+ 205.998430 131.6
[M+HCOO]- 267.999371 154.8
[M+CH3COO]- 282.015021 187.3
[M+Na-2H]- 243.975836 144.3
[M]+ 223.00062142 135.9
[M]- 223.00171858 135.9
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