CID 80612961

Ethyl 5-(4-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula
C11H9FN2O3S
SMILES
CCOC(=O)C1=NN=C(S1)OC2=CC=C(C=C2)F
InChI
InChI=1S/C11H9FN2O3S/c1-2-16-10(15)9-13-14-11(18-9)17-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3
InChIKey
YHJILCXAPSEZRI-UHFFFAOYSA-N
Compound name
ethyl 5-(4-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0318 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.039076 154.7
[M+Na]+ 291.021018 164.7
[M-H]- 267.024524 158.5
[M+NH4]+ 286.065623 171.0
[M+K]+ 306.994958 161.7
[M+H-H2O]+ 251.029060 146.2
[M+HCOO]- 313.030001 172.1
[M+CH3COO]- 327.045651 192.4
[M+Na-2H]- 289.006466 155.6
[M]+ 268.03125142 159.6
[M]- 268.03234858 159.6
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.