CID 70840

3,5-diphenylpyrazole

Structural Information

Molecular Formula

C₁₅H₁₂N₂

SMILES

C1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)

InChIKey

JXHKUYQCEJILEI-UHFFFAOYSA-N

Compound name

3,5-diphenyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 24
References: 778
Patents: 220.10005 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.10733	150.3
[M+Na]+	243.08927	166.5
[M+NH4]+	238.13387	159.7
[M+K]+	259.06321	159.3
[M-H]-	219.09277	156.1
[M+Na-2H]-	241.07472	162.3
[M]+	220.09950	154.4
[M]-	220.10060	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe