CID 3078475

1-(3-pyridylcarbonyl)-5-(2-fluorophenyl)-2-pyrazoline

Structural Information

Molecular Formula
C15H12FN3O
SMILES
C1C=NN(C1C2=CC=CC=C2F)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C15H12FN3O/c16-13-6-2-1-5-12(13)14-7-9-18-19(14)15(20)11-4-3-8-17-10-11/h1-6,8-10,14H,7H2
InChIKey
JUHBOWCMUNNYQE-UHFFFAOYSA-N
Compound name
[3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

269.09644 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10372 159.6
[M+Na]+ 292.08566 167.9
[M-H]- 268.08916 164.3
[M+NH4]+ 287.13026 173.0
[M+K]+ 308.05960 162.7
[M+H-H2O]+ 252.09370 148.3
[M+HCOO]- 314.09464 178.6
[M+CH3COO]- 328.11029 170.7
[M+Na-2H]- 290.07111 162.5
[M]+ 269.09589 157.0
[M]- 269.09699 157.0
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