CID 3012969

4-[2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenol

Structural Information

Molecular Formula
C11H6F3N3OS
SMILES
C1=CC(=CC=C1C2=CN3C(=N2)SC(=N3)C(F)(F)F)O
InChI
InChI=1S/C11H6F3N3OS/c12-11(13,14)9-16-17-5-8(15-10(17)19-9)6-1-3-7(18)4-2-6/h1-5,18H
InChIKey
CQVVHPBDNJGUED-UHFFFAOYSA-N
Compound name
4-[2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.01837 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02565 155.9
[M+Na]+ 308.00759 169.8
[M-H]- 284.01109 157.0
[M+NH4]+ 303.05219 173.1
[M+K]+ 323.98153 164.3
[M+H-H2O]+ 268.01563 147.3
[M+HCOO]- 330.01657 169.7
[M+CH3COO]- 344.03222 168.3
[M+Na-2H]- 305.99304 157.5
[M]+ 285.01782 157.4
[M]- 285.01892 157.4
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.