CID 3771610

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

Structural Information

Molecular Formula
C11H13ClFNO
SMILES
CC(C1=CC=C(C=C1)F)NC(=O)C(C)Cl
InChI
InChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-3-5-10(13)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKey
XVXFVUJDOHMVOV-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(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]+ 230.074246 148.1
[M+Na]+ 252.056188 155.2
[M-H]- 228.059694 150.3
[M+NH4]+ 247.100793 166.8
[M+K]+ 268.030128 151.6
[M+H-H2O]+ 212.064230 142.1
[M+HCOO]- 274.065171 165.0
[M+CH3COO]- 288.080821 192.9
[M+Na-2H]- 250.041636 150.1
[M]+ 229.06642142 148.2
[M]- 229.06751858 148.2
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.