CID 75487862

1036248-62-0

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC(=CC=C1C2=CNN=C2)C3=CNN=C3
InChI
InChI=1S/C12H10N4/c1-2-10(12-7-15-16-8-12)4-3-9(1)11-5-13-14-6-11/h1-8H,(H,13,14)(H,15,16)
InChIKey
RUGLQPNWHSDVER-UHFFFAOYSA-N
Compound name
4-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

210.09055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 144.7
[M+Na]+ 233.07977 159.2
[M+NH4]+ 228.12437 152.2
[M+K]+ 249.05371 156.0
[M-H]- 209.08327 147.6
[M+Na-2H]- 231.06522 155.0
[M]+ 210.09000 147.5
[M]- 210.09110 147.5
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

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