CID 4170708

N-allyl-4-chlorobenzamide

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

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

InChI

InChI=1S/C10H10ClNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13)

InChIKey

HRELSTHYEFXOCT-UHFFFAOYSA-N

Compound name

4-chloro-N-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 195.04509 Da
Monoisotopic Mass: 2.5
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]+	196.052366	140.1
[M+Na]+	218.034308	148.4
[M-H]-	194.037814	143.8
[M+NH4]+	213.078913	160.3
[M+K]+	234.008248	143.9
[M+H-H2O]+	178.042350	135.2
[M+HCOO]-	240.043291	160.5
[M+CH3COO]-	254.058941	184.5
[M+Na-2H]-	216.019756	145.7
[M]+	195.04454142	141.4
[M]-	195.04563858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe