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]+ 230.07425 148.1
[M+Na]+ 252.05619 155.2
[M-H]- 228.05969 150.3
[M+NH4]+ 247.10079 166.8
[M+K]+ 268.03013 151.6
[M+H-H2O]+ 212.06423 142.1
[M+HCOO]- 274.06517 165.0
[M+CH3COO]- 288.08082 192.9
[M+Na-2H]- 250.04164 150.1
[M]+ 229.06642 148.2
[M]- 229.06752 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.