CID 2856224

103085-24-1

Structural Information

Molecular Formula
C19H15FN2O
SMILES
C1C(N(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C4=CC=CO4
InChI
InChI=1S/C19H15FN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKey
SFRUVWRGPPJKQC-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

306.11685 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12413 168.3
[M+Na]+ 329.10607 177.1
[M-H]- 305.10957 178.5
[M+NH4]+ 324.15067 182.1
[M+K]+ 345.08001 172.3
[M+H-H2O]+ 289.11411 158.0
[M+HCOO]- 351.11505 189.4
[M+CH3COO]- 365.13070 180.2
[M+Na-2H]- 327.09152 169.1
[M]+ 306.11630 167.4
[M]- 306.11740 167.4
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

No patent data available for this compound.