CID 2187585

606955-98-0

Structural Information

Molecular Formula
C13H8FN3O2S
SMILES
CC1=NN2C(=O)/C(=C/C3=CC(=CC=C3)F)/SC2=NC1=O
InChI
InChI=1S/C13H8FN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-3-2-4-9(14)5-8/h2-6H,1H3/b10-6-
InChIKey
PFJBVNOXQAQPMG-POHAHGRESA-N
Compound name
(2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.03214 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03942 160.7
[M+Na]+ 312.02136 176.1
[M-H]- 288.02486 165.4
[M+NH4]+ 307.06596 176.7
[M+K]+ 327.99530 169.1
[M+H-H2O]+ 272.02940 152.2
[M+HCOO]- 334.03034 178.4
[M+CH3COO]- 348.04599 174.0
[M+Na-2H]- 310.00681 163.1
[M]+ 289.03159 166.0
[M]- 289.03269 166.0
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.