CID 17692

N-(4-chlorophenyl)propanamide

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CCC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey
FFHGCIYKPNISDY-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

132
Patents

183.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 136.4
[M+Na]+ 206.03431 149.6
[M+NH4]+ 201.07891 145.5
[M+K]+ 222.00825 142.5
[M-H]- 182.03781 139.2
[M+Na-2H]- 204.01976 143.9
[M]+ 183.04454 139.4
[M]- 183.04564 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe