CID 43236187

1-[(2-chloroethyl)sulfanyl]-2,4-difluorobenzene

Structural Information

Molecular Formula

C₈H₇ClF₂S

SMILES

C1=CC(=C(C=C1F)F)SCCCl

InChI

InChI=1S/C8H7ClF2S/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2

InChIKey

XOGWOZIDZMUMNF-UHFFFAOYSA-N

Compound name

1-(2-chloroethylsulfanyl)-2,4-difluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 207.99251 Da
Monoisotopic Mass: 3.5
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]+	208.99979	137.8
[M+Na]+	230.98173	150.4
[M+NH4]+	226.02633	146.8
[M+K]+	246.95567	140.8
[M-H]-	206.98523	138.3
[M+Na-2H]-	228.96718	143.9
[M]+	207.99196	140.5
[M]-	207.99306	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe