CID 2737284

351-66-6

Structural Information

Molecular Formula

C₁₃H₁₁FS

SMILES

C1=CC=C(C=C1)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H11FS/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2

InChIKey

HAKNESVFKIESDD-UHFFFAOYSA-N

Compound name

1-fluoro-4-(phenylsulfanylmethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 218.05655 Da
Monoisotopic Mass: 4.0
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]+	219.06383	143.2
[M+Na]+	241.04577	151.8
[M-H]-	217.04927	148.9
[M+NH4]+	236.09037	162.3
[M+K]+	257.01971	146.8
[M+H-H2O]+	201.05381	135.6
[M+HCOO]-	263.05475	161.9
[M+CH3COO]-	277.07040	156.3
[M+Na-2H]-	239.03122	147.4
[M]+	218.05600	143.5
[M]-	218.05710	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe