CID 42116

N-(4-chlorobenzyl)acetamide

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC(=O)NCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)
InChIKey
WKBSEJMYQYVFJQ-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

183.04509 Da
Monoisotopic Mass

1.6
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

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