CID 11820095

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

Structural Information

Molecular Formula
C9H9FO2S
SMILES
CC(C(=O)O)SC1=CC=C(C=C1)F
InChI
InChI=1S/C9H9FO2S/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKey
DCGVRKXPYLZLIS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

200.03073 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03801 141.0
[M+Na]+ 223.01995 151.4
[M+NH4]+ 218.06455 148.6
[M+K]+ 238.99389 144.5
[M-H]- 199.02345 140.8
[M+Na-2H]- 221.00540 145.5
[M]+ 200.03018 142.7
[M]- 200.03128 142.7
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

patents stripe