CID 3012971

Chembl4161886

Structural Information

Molecular Formula
C14H6F3N3O2S
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C(=N3)SC(=N4)C(F)(F)F
InChI
InChI=1S/C14H6F3N3O2S/c15-14(16,17)12-19-20-6-9(18-13(20)23-12)8-5-7-3-1-2-4-10(7)22-11(8)21/h1-6H
InChIKey
VDFQUGFOXFWYIF-UHFFFAOYSA-N
Compound name
3-[2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.01328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02056 169.6
[M+Na]+ 360.00250 186.3
[M-H]- 336.00600 174.3
[M+NH4]+ 355.04710 185.3
[M+K]+ 375.97644 181.0
[M+H-H2O]+ 320.01054 161.1
[M+HCOO]- 382.01148 184.6
[M+CH3COO]- 396.02713 182.7
[M+Na-2H]- 357.98795 173.3
[M]+ 337.01273 176.0
[M]- 337.01383 176.0
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.