CID 322933

N-[4-(2-chloropropanoyl)phenyl]acetamide

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
CC(C(=O)C1=CC=C(C=C1)NC(=O)C)Cl
InChI
InChI=1S/C11H12ClNO2/c1-7(12)11(15)9-3-5-10(6-4-9)13-8(2)14/h3-7H,1-2H3,(H,13,14)
InChIKey
FWBXOIYYUSIMST-UHFFFAOYSA-N
Compound name
N-[4-(2-chloropropanoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

225.05565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 147.8
[M+Na]+ 248.04487 159.4
[M+NH4]+ 243.08947 155.4
[M+K]+ 264.01881 153.9
[M-H]- 224.04837 149.3
[M+Na-2H]- 246.03032 153.4
[M]+ 225.05510 149.9
[M]- 225.05620 149.9
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

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