CID 131846418

4-(4-ethynylphenyl)-1h-pyrazole

Structural Information

Molecular Formula
C11H8N2
SMILES
C#CC1=CC=C(C=C1)C2=CNN=C2
InChI
InChI=1S/C11H8N2/c1-2-9-3-5-10(6-4-9)11-7-12-13-8-11/h1,3-8H,(H,12,13)
InChIKey
NJWNFCSCCUVRNP-UHFFFAOYSA-N
Compound name
4-(4-ethynylphenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06874 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 137.2
[M+Na]+ 191.05796 148.0
[M-H]- 167.06146 137.5
[M+NH4]+ 186.10256 153.4
[M+K]+ 207.03190 141.5
[M+H-H2O]+ 151.06600 122.9
[M+HCOO]- 213.06694 153.1
[M+CH3COO]- 227.08259 148.1
[M+Na-2H]- 189.04341 141.6
[M]+ 168.06819 129.3
[M]- 168.06929 129.3
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

No patent data available for this compound.