CID 147978887

Schembl22116508

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂S

SMILES

CCC1=C(C2=C(C=CC=N2)C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C11H10ClNO2S/c1-2-8-5-6-9-4-3-7-13-10(9)11(8)16(12,14)15/h3-7H,2H2,1H3

InChIKey

ISVIHQACCWPRII-UHFFFAOYSA-N

Compound name

7-ethylquinoline-8-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 255.01208 Da
Monoisotopic Mass: 3.0
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]+	256.01936	152.8
[M+Na]+	278.00130	167.9
[M+NH4]+	273.04590	161.9
[M+K]+	293.97524	158.4
[M-H]-	254.00480	154.7
[M+Na-2H]-	275.98675	159.7
[M]+	255.01153	156.5
[M]-	255.01263	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe