CID 16226794

868964-04-9

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₃S

SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C11H12ClNO3S/c1-8(14)13-6-2-3-9-7-10(17(12,15)16)4-5-11(9)13/h4-5,7H,2-3,6H2,1H3

InChIKey

ZWAOGPPOUISAGA-UHFFFAOYSA-N

Compound name

1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 273.02264 Da
Monoisotopic Mass: 1.7
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]+	274.029916	154.4
[M+Na]+	296.011858	163.6
[M-H]-	272.015364	157.8
[M+NH4]+	291.056463	172.0
[M+K]+	311.985798	159.2
[M+H-H2O]+	256.019900	149.4
[M+HCOO]-	318.020841	163.0
[M+CH3COO]-	332.036491	192.2
[M+Na-2H]-	293.997306	158.2
[M]+	273.02209142	157.7
[M]-	273.02318858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe