CID 7216

Sulfallate

Structural Information

Molecular Formula

C₈H₁₄ClNS₂

SMILES

CCN(CC)C(=S)SCC(=C)Cl

InChI

InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3

InChIKey

XJCLWVXTCRQIDI-UHFFFAOYSA-N

Compound name

2-chloroprop-2-enyl N,N-diethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 20
References: 9770
Patents: 223.02562 Da
Monoisotopic Mass: 3.1
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]+	224.032896	145.8
[M+Na]+	246.014838	151.8
[M-H]-	222.018344	147.2
[M+NH4]+	241.059443	165.8
[M+K]+	261.988778	147.5
[M+H-H2O]+	206.022880	141.1
[M+HCOO]-	268.023821	152.4
[M+CH3COO]-	282.039471	192.4
[M+Na-2H]-	244.000286	143.1
[M]+	223.02507142	149.7
[M]-	223.02616858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe