CID 15956844

Schembl6452303

Structural Information

Molecular Formula
C15H12FN3O
SMILES
COC1=CC(=C(C=C1)C2=NN(C=C2)C3=CC=CC=N3)F
InChI
InChI=1S/C15H12FN3O/c1-20-11-5-6-12(13(16)10-11)14-7-9-19(18-14)15-4-2-3-8-17-15/h2-10H,1H3
InChIKey
NNIDUDQDGYCNNK-UHFFFAOYSA-N
Compound name
2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.09644 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10372 159.1
[M+Na]+ 292.08566 169.3
[M-H]- 268.08916 164.3
[M+NH4]+ 287.13026 173.0
[M+K]+ 308.05960 163.9
[M+H-H2O]+ 252.09370 147.9
[M+HCOO]- 314.09464 180.3
[M+CH3COO]- 328.11029 171.1
[M+Na-2H]- 290.07111 163.3
[M]+ 269.09589 159.7
[M]- 269.09699 159.7
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