CID 14450101

Brn 4270155

Structural Information

Molecular Formula
C16H12F2N2O3
SMILES
CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3OC(F)F)C#N
InChI
InChI=1S/C16H12F2N2O3/c1-8-10(6-19)13(14-11(20-8)7-22-15(14)21)9-4-2-3-5-12(9)23-16(17)18/h2-5,13,16,20H,7H2,1H3
InChIKey
PLABNVWUVBZWKK-UHFFFAOYSA-N
Compound name
4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.0816 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08888 175.3
[M+Na]+ 341.07082 186.0
[M+NH4]+ 336.11542 177.5
[M+K]+ 357.04476 178.4
[M-H]- 317.07432 168.1
[M+Na-2H]- 339.05627 174.9
[M]+ 318.08105 173.7
[M]- 318.08215 173.7
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

patents stripe