CID 21890571

199480-42-7

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

C1CN(CC2=CC=CC=C21)C(=O)Cl

InChI

InChI=1S/C10H10ClNO/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2

InChIKey

ICQJONGSPSQPOH-UHFFFAOYSA-N

Compound name

3,4-dihydro-1H-isoquinoline-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 195.04509 Da
Monoisotopic Mass: 2.3
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]+	196.05237	138.1
[M+Na]+	218.03431	152.4
[M+NH4]+	213.07891	148.0
[M+K]+	234.00825	144.7
[M-H]-	194.03781	140.7
[M+Na-2H]-	216.01976	145.0
[M]+	195.04454	141.2
[M]-	195.04564	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe