CID 346182

N-(3-chlorophenyl)propanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

183.04509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 136.6
[M+Na]+ 206.034308 145.0
[M-H]- 182.037814 140.4
[M+NH4]+ 201.078913 157.3
[M+K]+ 222.008248 141.4
[M+H-H2O]+ 166.042350 131.8
[M+HCOO]- 228.043291 157.1
[M+CH3COO]- 242.058941 182.4
[M+Na-2H]- 204.019756 142.7
[M]+ 183.04454142 138.2
[M]- 183.04563858 138.2
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

patents stripe