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]+ 239.046266 145.1
[M+Na]+ 261.028208 155.8
[M-H]- 237.031714 148.5
[M+NH4]+ 256.072813 159.9
[M+K]+ 277.002148 153.8
[M+H-H2O]+ 221.036250 136.8
[M+HCOO]- 283.037191 165.7
[M+CH3COO]- 297.052841 186.6
[M+Na-2H]- 259.013656 149.1
[M]+ 238.03844142 147.2
[M]- 238.03953858 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.