CID 2759849

10219-04-2

Structural Information

Molecular Formula

SMILES

CN(C1=CC(=CC=C1)F)C(=S)Cl

InChI

InChI=1S/C8H7ClFNS/c1-11(8(9)12)7-4-2-3-6(10)5-7/h2-5H,1H3

InChIKey

HSDZSNCIZXXUGE-UHFFFAOYSA-N

Compound name

N-(3-fluorophenyl)-N-methylcarbamothioyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.99718 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]+	204.00446	137.9
[M+Na]+	225.98640	150.2
[M+NH4]+	221.03100	147.3
[M+K]+	241.96034	141.5
[M-H]-	201.98990	140.1
[M+Na-2H]-	223.97185	144.7
[M]+	202.99663	141.0
[M]-	202.99773	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.