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 150.2
[M+Na]+ 277.00536 160.4
[M-H]- 253.00886 153.4
[M+NH4]+ 272.04996 165.0
[M+K]+ 292.97930 157.6
[M+H-H2O]+ 237.01340 142.3
[M+HCOO]- 299.01434 165.7
[M+CH3COO]- 313.02999 187.6
[M+Na-2H]- 274.99081 151.8
[M]+ 254.01559 153.5
[M]- 254.01669 153.5
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.