CID 136292796

Ethyl 2-(4-fluorophenyl)-2-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)acetate

Structural Information

Molecular Formula
C12H12FN3O3
SMILES
CCOC(=O)C(C1=CC=C(C=C1)F)C2=NNC(=O)N2
InChI
InChI=1S/C12H12FN3O3/c1-2-19-11(17)9(10-14-12(18)16-15-10)7-3-5-8(13)6-4-7/h3-6,9H,2H2,1H3,(H2,14,15,16,18)
InChIKey
MFZIVDWLHCPFJG-UHFFFAOYSA-N
Compound name
ethyl 2-(4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.08627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09355 158.6
[M+Na]+ 288.07549 168.6
[M+NH4]+ 283.12009 162.6
[M+K]+ 304.04943 166.7
[M-H]- 264.07899 156.3
[M+Na-2H]- 286.06094 162.6
[M]+ 265.08572 158.8
[M]- 265.08682 158.8
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.