CID 15550682

223512-41-2

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

CC(=O)NCC1=CC=C(C=C1)CCl

InChI

InChI=1S/C10H12ClNO/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13)

InChIKey

UADHOMUWKSPYAI-UHFFFAOYSA-N

Compound name

N-[[4-(chloromethyl)phenyl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 197.06075 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.06803	141.3
[M+Na]+	220.04997	149.3
[M-H]-	196.05347	144.9
[M+NH4]+	215.09457	161.5
[M+K]+	236.02391	145.4
[M+H-H2O]+	180.05801	136.3
[M+HCOO]-	242.05895	161.5
[M+CH3COO]-	256.07460	185.4
[M+Na-2H]-	218.03542	146.8
[M]+	197.06020	143.3
[M]-	197.06130	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe