CID 50989433

2-chloro-n-{[1-(4-fluorophenyl)cyclopentyl]methyl}acetamide

Structural Information

Molecular Formula
C14H17ClFNO
SMILES
C1CCC(C1)(CNC(=O)CCl)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H17ClFNO/c15-9-13(18)17-10-14(7-1-2-8-14)11-3-5-12(16)6-4-11/h3-6H,1-2,7-10H2,(H,17,18)
InChIKey
YJQVSNWIFJWTLD-UHFFFAOYSA-N
Compound name
2-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.09827 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10555 161.0
[M+Na]+ 292.08749 167.4
[M-H]- 268.09099 165.7
[M+NH4]+ 287.13209 181.4
[M+K]+ 308.06143 162.1
[M+H-H2O]+ 252.09553 154.3
[M+HCOO]- 314.09647 178.1
[M+CH3COO]- 328.11212 195.9
[M+Na-2H]- 290.07294 162.9
[M]+ 269.09772 159.0
[M]- 269.09882 159.0
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.