CID 2324444

380419-64-7

Structural Information

Molecular Formula
C12H7F3N2OS
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F
InChI
InChI=1S/C12H7F3N2OS/c1-6-10-7(12(13,14)15)5-8(9-3-2-4-19-9)16-11(10)18-17-6/h2-5H,1H3
InChIKey
VQKBGTNNXKQNKJ-UHFFFAOYSA-N
Compound name
3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.02313 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03041 155.9
[M+Na]+ 307.01235 170.1
[M-H]- 283.01585 160.1
[M+NH4]+ 302.05695 174.1
[M+K]+ 322.98629 166.4
[M+H-H2O]+ 267.02039 148.0
[M+HCOO]- 329.02133 171.4
[M+CH3COO]- 343.03698 169.5
[M+Na-2H]- 304.99780 158.0
[M]+ 284.02258 159.6
[M]- 284.02368 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

literature stripe

Patent stripe

No patent data available for this compound.