CID 135646665

1018047-82-9

Structural Information

Molecular Formula
C10H7F3N2O2
SMILES
C1CC1C2=NOC3=C2C(=CC(=O)N3)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O2/c11-10(12,13)5-3-6(16)14-9-7(5)8(15-17-9)4-1-2-4/h3-4H,1-2H2,(H,14,16)
InChIKey
WJEIJTKVKRCVSV-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04596 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05324 146.7
[M+Na]+ 267.03518 160.8
[M-H]- 243.03868 149.1
[M+NH4]+ 262.07978 158.1
[M+K]+ 283.00912 155.4
[M+H-H2O]+ 227.04322 137.5
[M+HCOO]- 289.04416 163.9
[M+CH3COO]- 303.05981 190.6
[M+Na-2H]- 265.02063 152.9
[M]+ 244.04541 148.1
[M]- 244.04651 148.1
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.