CID 133749

81718-68-5

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₂

SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N(C)C

InChI

InChI=1S/C12H12ClNO2/c1-7-8-5-4-6-9(13)11(8)16-10(7)12(15)14(2)3/h4-6H,1-3H3

InChIKey

PRXZWMIZJSUOQF-UHFFFAOYSA-N

Compound name

7-chloro-N,N,3-trimethyl-1-benzofuran-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 237.05565 Da
Monoisotopic Mass: 3.1
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]+	238.06293	150.6
[M+Na]+	260.04487	162.1
[M-H]-	236.04837	158.4
[M+NH4]+	255.08947	172.0
[M+K]+	276.01881	159.9
[M+H-H2O]+	220.05291	145.9
[M+HCOO]-	282.05385	171.9
[M+CH3COO]-	296.06950	196.4
[M+Na-2H]-	258.03032	155.5
[M]+	237.05510	158.5
[M]-	237.05620	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe