CID 54592487

2-chloro-n-ethyl-n-[1-(4-fluorophenyl)ethyl]acetamide

Structural Information

Molecular Formula
C12H15ClFNO
SMILES
CCN(C(C)C1=CC=C(C=C1)F)C(=O)CCl
InChI
InChI=1S/C12H15ClFNO/c1-3-15(12(16)8-13)9(2)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKey
WUXJUKPVASWMNM-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08263 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08991 152.5
[M+Na]+ 266.07185 159.6
[M-H]- 242.07535 156.0
[M+NH4]+ 261.11645 171.3
[M+K]+ 282.04579 156.6
[M+H-H2O]+ 226.07989 146.0
[M+HCOO]- 288.08083 170.5
[M+CH3COO]- 302.09648 198.5
[M+Na-2H]- 264.05730 154.5
[M]+ 243.08208 154.9
[M]- 243.08318 154.9
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.