CID 24208925

853312-87-5

Structural Information

Molecular Formula
C12H7F3N2O2
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(F)(F)F
InChI
InChI=1S/C12H7F3N2O2/c1-6-10-7(12(13,14)15)5-8(9-3-2-4-18-9)16-11(10)19-17-6/h2-5H,1H3
InChIKey
OVVSGYMJHSVBIM-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.04596 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05324 151.9
[M+Na]+ 291.03518 165.2
[M-H]- 267.03868 156.2
[M+NH4]+ 286.07978 168.2
[M+K]+ 307.00912 163.2
[M+H-H2O]+ 251.04322 143.4
[M+HCOO]- 313.04416 170.9
[M+CH3COO]- 327.05981 165.6
[M+Na-2H]- 289.02063 157.5
[M]+ 268.04541 154.7
[M]- 268.04651 154.7
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.