CID 241026

4-chloro-n,n-diisopropylbenzamide

Structural Information

Molecular Formula

C₁₃H₁₈ClNO

SMILES

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)Cl

InChI

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

InChIKey

MGPPJDHMGGQMSG-UHFFFAOYSA-N

Compound name

4-chloro-N,N-di(propan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.1077 Da
Monoisotopic Mass: 3.6
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	154.2
[M+Na]+	262.096918	160.6
[M-H]-	238.100424	159.0
[M+NH4]+	257.141523	173.2
[M+K]+	278.070858	158.3
[M+H-H2O]+	222.104960	148.7
[M+HCOO]-	284.105901	172.0
[M+CH3COO]-	298.121551	199.7
[M+Na-2H]-	260.082366	155.0
[M]+	239.10715142	157.5
[M]-	239.10824858	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe