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]+ 269.03908 154.7
[M+Na]+ 291.02102 164.7
[M-H]- 267.02452 158.5
[M+NH4]+ 286.06562 171.0
[M+K]+ 306.99496 161.7
[M+H-H2O]+ 251.02906 146.2
[M+HCOO]- 313.03000 172.1
[M+CH3COO]- 327.04565 192.4
[M+Na-2H]- 289.00647 155.6
[M]+ 268.03125 159.6
[M]- 268.03235 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.