CID 162992

Xylachlor

Structural Information

Molecular Formula

C₁₃H₁₈ClNO

SMILES

CC1=C(C(=CC=C1)N(C(C)C)C(=O)CCl)C

InChI

InChI=1S/C13H18ClNO/c1-9(2)15(13(16)8-14)12-7-5-6-10(3)11(12)4/h5-7,9H,8H2,1-4H3

InChIKey

UDRNNGBAXFCBLJ-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,3-dimethylphenyl)-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6363
Patents: 239.1077 Da
Monoisotopic Mass: 3.4
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]+	240.114976	153.8
[M+Na]+	262.096918	161.4
[M-H]-	238.100424	158.9
[M+NH4]+	257.141523	173.2
[M+K]+	278.070858	158.7
[M+H-H2O]+	222.104960	148.5
[M+HCOO]-	284.105901	172.5
[M+CH3COO]-	298.121551	200.0
[M+Na-2H]-	260.082366	155.1
[M]+	239.10715142	158.0
[M]-	239.10824858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe