CID 108679

2-ethoxy-1-naphthoyl chloride

Structural Information

Molecular Formula

C₁₃H₁₁ClO₂

SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)Cl

InChI

InChI=1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3

InChIKey

ZRVFFIXOCFUHDA-UHFFFAOYSA-N

Compound name

2-ethoxynaphthalene-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 188
Patents: 234.04475 Da
Monoisotopic Mass: 4.0
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]+	235.05203	147.0
[M+Na]+	257.03397	162.7
[M+NH4]+	252.07857	156.8
[M+K]+	273.00791	154.4
[M-H]-	233.03747	150.3
[M+Na-2H]-	255.01942	154.8
[M]+	234.04420	150.7
[M]-	234.04530	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe