CID 17164426

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

Structural Information

Molecular Formula
C5H7ClF3NO
SMILES
C(CNC(=O)C(F)(F)F)CCl
InChI
InChI=1S/C5H7ClF3NO/c6-2-1-3-10-4(11)5(7,8)9/h1-3H2,(H,10,11)
InChIKey
PRABUCUNDPBFOB-UHFFFAOYSA-N
Compound name
N-(3-chloropropyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

189.01683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02411 135.6
[M+Na]+ 212.00605 142.4
[M+NH4]+ 207.05065 140.7
[M+K]+ 227.97999 138.3
[M-H]- 188.00955 130.4
[M+Na-2H]- 209.99150 137.4
[M]+ 189.01628 134.8
[M]- 189.01738 134.8
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