CID 5153162

2-chloro-n-[2-(4-fluorophenyl)ethyl]propanamide

Structural Information

Molecular Formula
C11H13ClFNO
SMILES
CC(C(=O)NCCC1=CC=C(C=C1)F)Cl
InChI
InChI=1S/C11H13ClFNO/c1-8(12)11(15)14-7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKey
WOWKFKLKYPRKOR-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-fluorophenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.06697 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07425 147.7
[M+Na]+ 252.05619 159.1
[M+NH4]+ 247.10079 155.5
[M+K]+ 268.03013 152.4
[M-H]- 228.05969 148.6
[M+Na-2H]- 250.04164 153.5
[M]+ 229.06642 149.7
[M]- 229.06752 149.7
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.