CID 10012605

4-(chloromethyl)-n-methylbenzamide

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

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

InChI

InChI=1S/C9H10ClNO/c1-11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3,(H,11,12)

InChIKey

STBWCKBWDMKXIW-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 183.04509 Da
Monoisotopic Mass: 1.2
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]+	184.05237	136.6
[M+Na]+	206.03431	145.0
[M-H]-	182.03781	140.4
[M+NH4]+	201.07891	157.3
[M+K]+	222.00825	141.4
[M+H-H2O]+	166.04235	131.8
[M+HCOO]-	228.04329	157.1
[M+CH3COO]-	242.05894	182.4
[M+Na-2H]-	204.01976	142.7
[M]+	183.04454	138.2
[M]-	183.04564	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe