CID 18792834

N-[3-(chloromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC(=O)NC1=CC=CC(=C1)CCl
InChI
InChI=1S/C9H10ClNO/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
MOMMJJQBRPVSNG-UHFFFAOYSA-N
Compound name
N-[3-(chloromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

183.04509 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe