CID 91875588

2-fluoro-4-(phenylthio)phenol

Structural Information

Molecular Formula
C12H9FOS
SMILES
C1=CC=C(C=C1)SC2=CC(=C(C=C2)O)F
InChI
InChI=1S/C12H9FOS/c13-11-8-10(6-7-12(11)14)15-9-4-2-1-3-5-9/h1-8,14H
InChIKey
LVRCCTMTWJJFJU-UHFFFAOYSA-N
Compound name
2-fluoro-4-phenylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03581 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04309 144.7
[M+Na]+ 243.02503 159.2
[M+NH4]+ 238.06963 154.3
[M+K]+ 258.99897 149.2
[M-H]- 219.02853 148.6
[M+Na-2H]- 241.01048 153.8
[M]+ 220.03526 148.5
[M]- 220.03636 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.