CID 42926975

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

Structural Information

Molecular Formula
C11H13ClFNO
SMILES
CC(C1=CC=C(C=C1)F)N(C)C(=O)CCl
InChI
InChI=1S/C11H13ClFNO/c1-8(14(2)11(15)7-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
CGHDTEQFSRLNFA-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.06697 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07425 147.7
[M+Na]+ 252.05619 155.2
[M-H]- 228.05969 151.3
[M+NH4]+ 247.10079 167.1
[M+K]+ 268.03013 152.5
[M+H-H2O]+ 212.06423 141.4
[M+HCOO]- 274.06517 166.1
[M+CH3COO]- 288.08082 195.5
[M+Na-2H]- 250.04164 150.2
[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.