CID 2560682

852389-17-4

Structural Information

Molecular Formula
C10H7FN2O4
SMILES
C1=CC(=CC=C1C2=NN(C(=O)O2)CC(=O)O)F
InChI
InChI=1S/C10H7FN2O4/c11-7-3-1-6(2-4-7)9-12-13(5-8(14)15)10(16)17-9/h1-4H,5H2,(H,14,15)
InChIKey
MWVSPYYEJYTGJS-UHFFFAOYSA-N
Compound name
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

238.03899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04627 145.1
[M+Na]+ 261.02821 155.8
[M-H]- 237.03171 148.5
[M+NH4]+ 256.07281 159.9
[M+K]+ 277.00215 153.8
[M+H-H2O]+ 221.03625 136.8
[M+HCOO]- 283.03719 165.7
[M+CH3COO]- 297.05284 186.6
[M+Na-2H]- 259.01366 149.1
[M]+ 238.03844 147.2
[M]- 238.03954 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.