CID 2734803

3-methylbenzofuran-2-carbonyl chloride

Structural Information

Molecular Formula

C₁₀H₇ClO₂

SMILES

CC1=C(OC2=CC=CC=C12)C(=O)Cl

InChI

InChI=1S/C10H7ClO2/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3

InChIKey

QEULGCOIYWPYIL-UHFFFAOYSA-N

Compound name

3-methyl-1-benzofuran-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 97
Patents: 194.01346 Da
Monoisotopic Mass: 3.5
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]+	195.02074	134.5
[M+Na]+	217.00268	149.9
[M+NH4]+	212.04728	144.3
[M+K]+	232.97662	144.7
[M-H]-	193.00618	138.3
[M+Na-2H]-	214.98813	141.4
[M]+	194.01291	138.2
[M]-	194.01401	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe