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

66
Patents

210.09055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.097826 142.9
[M+Na]+ 233.079768 152.7
[M-H]- 209.083274 146.0
[M+NH4]+ 228.124373 158.1
[M+K]+ 249.053708 146.7
[M+H-H2O]+ 193.087810 133.4
[M+HCOO]- 255.088751 164.0
[M+CH3COO]- 269.104401 155.1
[M+Na-2H]- 231.065216 148.1
[M]+ 210.09000142 140.7
[M]- 210.09109858 140.7
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

patents stripe