CID 18072838

2-[(4-fluorophenyl)sulfanyl]-2-phenylacetic acid

Structural Information

Molecular Formula
C14H11FO2S
SMILES
C1=CC=C(C=C1)C(C(=O)O)SC2=CC=C(C=C2)F
InChI
InChI=1S/C14H11FO2S/c15-11-6-8-12(9-7-11)18-13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKey
XJOZUMXBUUGLBO-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)sulfanyl-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0464 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05368 156.1
[M+Na]+ 285.03562 168.5
[M+NH4]+ 280.08022 164.1
[M+K]+ 301.00956 160.0
[M-H]- 261.03912 158.6
[M+Na-2H]- 283.02107 163.7
[M]+ 262.04585 159.0
[M]- 262.04695 159.0
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.