CID 13591069

1,2,3,4-tetrahydroquinoline-1-carbonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

C1CC2=CC=CC=C2N(C1)C(=O)Cl

InChI

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

InChIKey

KRGMMKVSHXVQCM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 195.04509 Da
Monoisotopic Mass: 2.7
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	138.3
[M+Na]+	218.034308	146.4
[M-H]-	194.037814	140.9
[M+NH4]+	213.078913	158.2
[M+K]+	234.008248	142.4
[M+H-H2O]+	178.042350	132.4
[M+HCOO]-	240.043291	153.1
[M+CH3COO]-	254.058941	181.4
[M+Na-2H]-	216.019756	144.9
[M]+	195.04454142	137.4
[M]-	195.04563858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe