CID 82681

10506-37-3

Structural Information

Molecular Formula

C₁₁H₇ClOS

SMILES

C1=CC=C2C=C(C=CC2=C1)OC(=S)Cl

InChI

InChI=1S/C11H7ClOS/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChIKey

INFPIPCTRVDPJG-UHFFFAOYSA-N

Compound name

O-naphthalen-2-yl chloromethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 221.99062 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]+	222.99790	141.3
[M+Na]+	244.97984	151.3
[M-H]-	220.98334	146.4
[M+NH4]+	240.02444	162.4
[M+K]+	260.95378	146.1
[M+H-H2O]+	204.98788	136.8
[M+HCOO]-	266.98882	154.9
[M+CH3COO]-	281.00447	154.9
[M+Na-2H]-	242.96529	146.6
[M]+	221.99007	145.6
[M]-	221.99117	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe