CID 616993

Utihjvhhcwtpjk-uhfffaoysa-n

Structural Information

Molecular Formula
C10H7ClF3N3O3
SMILES
CCOC1=NN(C(=O)O1)C2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H7ClF3N3O3/c1-2-19-8-16-17(9(18)20-8)7-6(11)3-5(4-15-7)10(12,13)14/h3-4H,2H2,1H3
InChIKey
UTIHJVHHCWTPJK-UHFFFAOYSA-N
Compound name
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethoxy-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.01282 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.020096 159.1
[M+Na]+ 332.002038 172.3
[M-H]- 308.005544 160.0
[M+NH4]+ 327.046643 171.7
[M+K]+ 347.975978 168.4
[M+H-H2O]+ 292.010080 148.7
[M+HCOO]- 354.011021 171.8
[M+CH3COO]- 368.026671 199.8
[M+Na-2H]- 329.987486 162.9
[M]+ 309.01227142 162.7
[M]- 309.01336858 162.7
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.