CID 91875588

2-fluoro-4-(phenylsulfanyl)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 142.4
[M+Na]+ 243.02503 151.8
[M-H]- 219.02853 147.3
[M+NH4]+ 238.06963 161.0
[M+K]+ 258.99897 146.6
[M+H-H2O]+ 203.03307 135.3
[M+HCOO]- 265.03401 160.1
[M+CH3COO]- 279.04966 155.5
[M+Na-2H]- 241.01048 146.2
[M]+ 220.03526 142.4
[M]- 220.03636 142.4
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.