CID 6390

Trichloromethanethiol

Structural Information

Molecular Formula

SMILES

C(S)(Cl)(Cl)Cl

InChI

InChI=1S/CHCl3S/c2-1(3,4)5/h5H

InChIKey

ILSVYQNRDXIWLK-UHFFFAOYSA-N

Compound name

trichloromethanethiol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 2766
Patents: 149.88646 Da
Monoisotopic Mass: 2.5
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]+	150.89374	120.3
[M+Na]+	172.87568	130.3
[M-H]-	148.87918	120.3
[M+NH4]+	167.92028	143.0
[M+K]+	188.84962	126.4
[M+H-H2O]+	132.88372	119.6
[M+HCOO]-	194.88466	123.7
[M+CH3COO]-	208.90031	171.7
[M+Na-2H]-	170.86113	124.4
[M]+	149.88591	122.8
[M]-	149.88701	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe