CID 18465093

4-(chloromethyl)-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

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

InChI

InChI=1S/C10H12ClNO/c1-12(2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,7H2,1-2H3

InChIKey

UMAPDJRQFLVOIA-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 197.06075 Da
Monoisotopic Mass: 1.0
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]+	198.068026	140.8
[M+Na]+	220.049968	148.9
[M-H]-	196.053474	145.9
[M+NH4]+	215.094573	161.6
[M+K]+	236.023908	146.4
[M+H-H2O]+	180.058010	135.6
[M+HCOO]-	242.058951	161.5
[M+CH3COO]-	256.074601	188.9
[M+Na-2H]-	218.035416	145.6
[M]+	197.06020142	144.1
[M]-	197.06129858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe