CID 2104060

747411-46-7

Structural Information

Molecular Formula
C14H10FN3O3S
SMILES
CCOC(=O)C1=CC(=O)N2C(=NC(=N2)C3=CC=CC=C3F)S1
InChI
InChI=1S/C14H10FN3O3S/c1-2-21-13(20)10-7-11(19)18-14(22-10)16-12(17-18)8-5-3-4-6-9(8)15/h3-7H,2H2,1H3
InChIKey
HNVVSOPUTOTPNF-UHFFFAOYSA-N
Compound name
ethyl 2-(2-fluorophenyl)-7-oxo-[1,2,4]triazolo[5,1-b][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

319.0427 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.04998 169.7
[M+Na]+ 342.03192 183.8
[M+NH4]+ 337.07652 175.8
[M+K]+ 358.00586 177.4
[M-H]- 318.03542 170.4
[M+Na-2H]- 340.01737 175.8
[M]+ 319.04215 172.2
[M]- 319.04325 172.2
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.