CID 865308

485334-65-4

Structural Information

Molecular Formula
C10H7FN2O3S
SMILES
C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)O)F
InChI
InChI=1S/C10H7FN2O3S/c11-7-3-1-6(2-4-7)9-12-13-10(16-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)
InChIKey
HIAAWEVGYSBOCA-UHFFFAOYSA-N
Compound name
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.01614 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02342 153.6
[M+Na]+ 277.00536 165.0
[M+NH4]+ 272.04996 159.7
[M+K]+ 292.97930 160.3
[M-H]- 253.00886 154.7
[M+Na-2H]- 274.99081 158.2
[M]+ 254.01559 155.7
[M]- 254.01669 155.7
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

No patent data available for this compound.