CID 10849611

35771-74-5

Structural Information

Molecular Formula

C₁₅H₈ClNS

SMILES

C1=CC=C2C(=C1)C(=C3C(=N2)C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C15H8ClNS/c16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8H

InChIKey

RIIDAMXKYIBZCE-UHFFFAOYSA-N

Compound name

11-chloro-[1]benzothiolo[3,2-b]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 269.0066 Da
Monoisotopic Mass: 4.9
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]+	270.01388	154.2
[M+Na]+	291.99582	169.6
[M-H]-	267.99932	161.0
[M+NH4]+	287.04042	176.7
[M+K]+	307.96976	162.0
[M+H-H2O]+	252.00386	148.9
[M+HCOO]-	314.00480	169.3
[M+CH3COO]-	328.02045	168.8
[M+Na-2H]-	289.98127	162.1
[M]+	269.00605	162.8
[M]-	269.00715	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe