CID 4338928

2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5h)-one

Structural Information

Molecular Formula
C14H8F3NO2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC3=C(O2)C=CNC3=O
InChI
InChI=1S/C14H8F3NO2/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19)
InChIKey
ICVXPLDIRPNIOG-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)phenyl]-5H-furo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.05072 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05800 155.9
[M+Na]+ 302.03994 168.3
[M-H]- 278.04344 159.2
[M+NH4]+ 297.08454 171.8
[M+K]+ 318.01388 163.2
[M+H-H2O]+ 262.04798 146.7
[M+HCOO]- 324.04892 174.4
[M+CH3COO]- 338.06457 168.5
[M+Na-2H]- 300.02539 162.3
[M]+ 279.05017 154.9
[M]- 279.05127 154.9
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

patents stripe