CID 2737794

63930-17-6

Structural Information

Molecular Formula

C₁₂H₈F₂S₂

SMILES

C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F

InChI

InChI=1S/C12H8F2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H

InChIKey

LFVFHTBHAIVNJQ-UHFFFAOYSA-N

Compound name

1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 254.00356 Da
Monoisotopic Mass: 4.6
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]+	255.01084	148.9
[M+Na]+	276.99278	162.1
[M+NH4]+	272.03738	158.3
[M+K]+	292.96672	150.2
[M-H]-	252.99628	152.1
[M+Na-2H]-	274.97823	156.9
[M]+	254.00301	152.7
[M]-	254.00411	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe